 Entering Gaussian System, Link 0=g16
 Input=11_L-cysteine_conformer07_STD_LCPBE_augccpVDZ.in
 Output=11_L-cysteine_conformer07_STD_LCPBE_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
            -H     0
            S    4   1.00
                  1.301000D+01           1.968500D-02
                  1.962000D+00           1.379770D-01
                  4.446000D-01           4.781480D-01
                  1.220000D-01           5.012400D-01
            S    1   1.00
                  1.220000D-01           1.000000D+00
            S    1   1.00
                  0.0297400              1.0000000
            P    1   1.00
                  7.270000D-01           1.0000000
            P    1   1.00
                  0.1410000              1.0000000
            ****
            -He     0
            S    4   1.00
                  3.836000D+01           2.380900D-02
                  5.770000D+00           1.548910D-01
                  1.240000D+00           4.699870D-01
                  2.976000D-01           5.130270D-01
            S    1   1.00
                  2.976000D-01           1.000000D+00
            S    1   1.00
                  0.0725500              1.0000000
            P    1   1.00
                  1.275000D+00           1.0000000
            P    1   1.00
                  0.2473000              1.0000000
            ****
            -Li     0
            S    9   1.00
                  1.469000D+03           7.660000D-04
                  2.205000D+02           5.892000D-03
                  5.026000D+01           2.967100D-02
                  1.424000D+01           1.091800D-01
                  4.581000D+00           2.827890D-01
                  1.580000D+00           4.531230D-01
                  5.640000D-01           2.747740D-01
                  7.345000D-02           9.751000D-03
                  2.805000D-02          -3.180000D-03
            S    9   1.00
                  1.469000D+03          -1.200000D-04
                  2.205000D+02          -9.230000D-04
                  5.026000D+01          -4.689000D-03
                  1.424000D+01          -1.768200D-02
                  4.581000D+00          -4.890200D-02
                  1.580000D+00          -9.600900D-02
                  5.640000D-01          -1.363800D-01
                  7.345000D-02           5.751020D-01
                  2.805000D-02           5.176610D-01
            S    1   1.00
                  2.805000D-02           1.000000D+00
            S    1   1.00
                  8.600000D-03           1.000000D+00
            P    4   1.00
                  1.534000D+00           2.278400D-02
                  2.749000D-01           1.391070D-01
                  7.362000D-02           5.003750D-01
                  2.403000D-02           5.084740D-01
            P    1   1.00
                  2.403000D-02           1.000000D+00
            P    1   1.00
                  5.800000D-03           1.000000D+00
            D    1   1.00
                  1.144000D-01           1.0000000
            D    1   1.00
                  7.330000D-02           1.000000D+00
            ****
            -Be     0
            S    9   1.00
                  2.940000D+03           6.800000D-04
                  4.412000D+02           5.236000D-03
                  1.005000D+02           2.660600D-02
                  2.843000D+01           9.999300D-02
                  9.169000D+00           2.697020D-01
                  3.196000D+00           4.514690D-01
                  1.159000D+00           2.950740D-01
                  1.811000D-01           1.258700D-02
                  5.890000D-02          -3.756000D-03
            S    9   1.00
                  2.940000D+03          -1.230000D-04
                  4.412000D+02          -9.660000D-04
                  1.005000D+02          -4.831000D-03
                  2.843000D+01          -1.931400D-02
                  9.169000D+00          -5.328000D-02
                  3.196000D+00          -1.207230D-01
                  1.159000D+00          -1.334350D-01
                  1.811000D-01           5.307670D-01
                  5.890000D-02           5.801170D-01
            S    1   1.00
                  5.890000D-02           1.000000D+00
            S    1   1.00
                  1.790000D-02           1.000000D+00
            P    4   1.00
                  3.619000D+00           2.911100D-02
                  7.110000D-01           1.693650D-01
                  1.951000D-01           5.134580D-01
                  6.018000D-02           4.793380D-01
            P    1   1.00
                  6.018000D-02           1.000000D+00
            P    1   1.00
                  1.110000D-02           1.000000D+00
            D    1   1.00
                  2.354000D-01           1.0000000
            D    1   1.00
                  7.220000D-02           1.000000D+00
            ****
            -B     0
            S    9   1.00
                  4.570000D+03           6.960000D-04
                  6.859000D+02           5.353000D-03
                  1.565000D+02           2.713400D-02
                  4.447000D+01           1.013800D-01
                  1.448000D+01           2.720550D-01
                  5.131000D+00           4.484030D-01
                  1.898000D+00           2.901230D-01
                  3.329000D-01           1.432200D-02
                  1.043000D-01          -3.486000D-03
            S    9   1.00
                  4.570000D+03          -1.390000D-04
                  6.859000D+02          -1.097000D-03
                  1.565000D+02          -5.444000D-03
                  4.447000D+01          -2.191600D-02
                  1.448000D+01          -5.975100D-02
                  5.131000D+00          -1.387320D-01
                  1.898000D+00          -1.314820D-01
                  3.329000D-01           5.395260D-01
                  1.043000D-01           5.807740D-01
            S    1   1.00
                  1.043000D-01           1.000000D+00
            S    1   1.00
                  0.0310500              1.0000000
            P    4   1.00
                  6.001000D+00           3.548100D-02
                  1.241000D+00           1.980720D-01
                  3.364000D-01           5.052300D-01
                  9.538000D-02           4.794990D-01
            P    1   1.00
                  9.538000D-02           1.000000D+00
            P    1   1.00
                  0.0237800              1.0000000
            D    1   1.00
                  3.430000D-01           1.0000000
            D    1   1.00
                  0.0904000              1.0000000
            ****
            -C     0
            S    9   1.00
                  6.665000D+03           6.920000D-04
                  1.000000D+03           5.329000D-03
                  2.280000D+02           2.707700D-02
                  6.471000D+01           1.017180D-01
                  2.106000D+01           2.747400D-01
                  7.495000D+00           4.485640D-01
                  2.797000D+00           2.850740D-01
                  5.215000D-01           1.520400D-02
                  1.596000D-01          -3.191000D-03
            S    9   1.00
                  6.665000D+03          -1.460000D-04
                  1.000000D+03          -1.154000D-03
                  2.280000D+02          -5.725000D-03
                  6.471000D+01          -2.331200D-02
                  2.106000D+01          -6.395500D-02
                  7.495000D+00          -1.499810D-01
                  2.797000D+00          -1.272620D-01
                  5.215000D-01           5.445290D-01
                  1.596000D-01           5.804960D-01
            S    1   1.00
                  1.596000D-01           1.000000D+00
            S    1   1.00
                  0.0469000              1.0000000
            P    4   1.00
                  9.439000D+00           3.810900D-02
                  2.002000D+00           2.094800D-01
                  5.456000D-01           5.085570D-01
                  1.517000D-01           4.688420D-01
            P    1   1.00
                  1.517000D-01           1.000000D+00
            P    1   1.00
                  0.0404100              1.0000000
            D    1   1.00
                  5.500000D-01           1.0000000
            D    1   1.00
                  0.1510000              1.0000000
            ****
            -N     0
            S    9   1.00
                  9.046000D+03           7.000000D-04
                  1.357000D+03           5.389000D-03
                  3.093000D+02           2.740600D-02
                  8.773000D+01           1.032070D-01
                  2.856000D+01           2.787230D-01
                  1.021000D+01           4.485400D-01
                  3.838000D+00           2.782380D-01
                  7.466000D-01           1.544000D-02
                  2.248000D-01          -2.864000D-03
            S    9   1.00
                  9.046000D+03          -1.530000D-04
                  1.357000D+03          -1.208000D-03
                  3.093000D+02          -5.992000D-03
                  8.773000D+01          -2.454400D-02
                  2.856000D+01          -6.745900D-02
                  1.021000D+01          -1.580780D-01
                  3.838000D+00          -1.218310D-01
                  7.466000D-01           5.490030D-01
                  2.248000D-01           5.788150D-01
            S    1   1.00
                  2.248000D-01           1.000000D+00
            S    1   1.00
                  0.0612400              1.0000000
            P    4   1.00
                  1.355000D+01           3.991900D-02
                  2.917000D+00           2.171690D-01
                  7.973000D-01           5.103190D-01
                  2.185000D-01           4.622140D-01
            P    1   1.00
                  2.185000D-01           1.000000D+00
            P    1   1.00
                  0.0561100              1.0000000
            D    1   1.00
                  8.170000D-01           1.0000000
            D    1   1.00
                  0.2300000              1.0000000
            ****
            -O     0
            S    9   1.00
                  1.172000D+04           7.100000D-04
                  1.759000D+03           5.470000D-03
                  4.008000D+02           2.783700D-02
                  1.137000D+02           1.048000D-01
                  3.703000D+01           2.830620D-01
                  1.327000D+01           4.487190D-01
                  5.025000D+00           2.709520D-01
                  1.013000D+00           1.545800D-02
                  3.023000D-01          -2.585000D-03
            S    9   1.00
                  1.172000D+04          -1.600000D-04
                  1.759000D+03          -1.263000D-03
                  4.008000D+02          -6.267000D-03
                  1.137000D+02          -2.571600D-02
                  3.703000D+01          -7.092400D-02
                  1.327000D+01          -1.654110D-01
                  5.025000D+00          -1.169550D-01
                  1.013000D+00           5.573680D-01
                  3.023000D-01           5.727590D-01
            S    1   1.00
                  3.023000D-01           1.000000D+00
            S    1   1.00
                  0.0789600              1.0000000
            P    4   1.00
                  1.770000D+01           4.301800D-02
                  3.854000D+00           2.289130D-01
                  1.046000D+00           5.087280D-01
                  2.753000D-01           4.605310D-01
            P    1   1.00
                  2.753000D-01           1.000000D+00
            P    1   1.00
                  0.0685600              1.0000000
            D    1   1.00
                  1.185000D+00           1.0000000
            D    1   1.00
                  0.3320000              1.0000000
            ****
            -F     0
            S    9   1.00
                  1.471000D+04           7.210000D-04
                  2.207000D+03           5.553000D-03
                  5.028000D+02           2.826700D-02
                  1.426000D+02           1.064440D-01
                  4.647000D+01           2.868140D-01
                  1.670000D+01           4.486410D-01
                  6.356000D+00           2.647610D-01
                  1.316000D+00           1.533300D-02
                  3.897000D-01          -2.332000D-03
            S    9   1.00
                  1.471000D+04          -1.650000D-04
                  2.207000D+03          -1.308000D-03
                  5.028000D+02          -6.495000D-03
                  1.426000D+02          -2.669100D-02
                  4.647000D+01          -7.369000D-02
                  1.670000D+01          -1.707760D-01
                  6.356000D+00          -1.123270D-01
                  1.316000D+00           5.628140D-01
                  3.897000D-01           5.687780D-01
            S    1   1.00
                  3.897000D-01           1.000000D+00
            S    1   1.00
                  0.0986300              1.0000000
            P    4   1.00
                  2.267000D+01           4.487800D-02
                  4.977000D+00           2.357180D-01
                  1.347000D+00           5.085210D-01
                  3.471000D-01           4.581200D-01
            P    1   1.00
                  3.471000D-01           1.000000D+00
            P    1   1.00
                  0.0850200              1.0000000
            D    1   1.00
                  1.640000D+00           1.0000000
            D    1   1.00
                  0.4640000              1.0000000
            ****
            -Ne     0
            S    9   1.00
                  1.788000D+04           7.380000D-04
                  2.683000D+03           5.677000D-03
                  6.115000D+02           2.888300D-02
                  1.735000D+02           1.085400D-01
                  5.664000D+01           2.909070D-01
                  2.042000D+01           4.483240D-01
                  7.810000D+00           2.580260D-01
                  1.653000D+00           1.506300D-02
                  4.869000D-01          -2.100000D-03
            S    9   1.00
                  1.788000D+04          -1.720000D-04
                  2.683000D+03          -1.357000D-03
                  6.115000D+02          -6.737000D-03
                  1.735000D+02          -2.766300D-02
                  5.664000D+01          -7.620800D-02
                  2.042000D+01          -1.752270D-01
                  7.810000D+00          -1.070380D-01
                  1.653000D+00           5.670500D-01
                  4.869000D-01           5.652160D-01
            S    1   1.00
                  4.869000D-01           1.000000D+00
            S    1   1.00
                  0.1230000              1.0000000
            P    4   1.00
                  2.839000D+01           4.608700D-02
                  6.270000D+00           2.401810D-01
                  1.695000D+00           5.087440D-01
                  4.317000D-01           4.556600D-01
            P    1   1.00
                  4.317000D-01           1.000000D+00
            P    1   1.00
                  0.1064000              1.0000000
            D    1   1.00
                  2.202000D+00           1.0000000
            D    1   1.00
                  0.6310000              1.0000000
            ****
            -Na     0
            S    12   1.00
                  3.170000D+04           4.588780D-04
                  4.755000D+03           3.550700D-03
                  1.082000D+03           1.826180D-02
                  3.064000D+02           7.166500D-02
                  9.953000D+01           2.123460D-01
                  3.542000D+01           4.162030D-01
                  1.330000D+01           3.730200D-01
                  4.392000D+00           6.250540D-02
                  1.676000D+00          -6.245320D-03
                  5.889000D-01           2.433740D-03
                  5.640000D-02          -4.423810D-04
                  2.307000D-02           2.419240D-04
            S    12   1.00
                  3.170000D+04          -1.121620D-04
                  4.755000D+03          -8.685120D-04
                  1.082000D+03          -4.513300D-03
                  3.064000D+02          -1.814360D-02
                  9.953000D+01          -5.807990D-02
                  3.542000D+01          -1.376530D-01
                  1.330000D+01          -1.939080D-01
                  4.392000D+00           8.580090D-02
                  1.676000D+00           6.044190D-01
                  5.889000D-01           4.417190D-01
                  5.640000D-02           1.305470D-02
                  2.307000D-02          -5.680850D-03
            S    12   1.00
                  3.170000D+04           1.701600D-05
                  4.755000D+03           1.306930D-04
                  1.082000D+03           6.877840D-04
                  3.064000D+02           2.723590D-03
                  9.953000D+01           8.955290D-03
                  3.542000D+01           2.078320D-02
                  1.330000D+01           3.193800D-02
                  4.392000D+00          -1.913680D-02
                  1.676000D+00          -1.025950D-01
                  5.889000D-01          -1.989450D-01
                  5.640000D-02           6.559520D-01
                  2.307000D-02           4.311530D-01
            S    1   1.00
                  2.307000D-02           1.000000D+00
            S    1   1.00
                  7.200000D-03           1.000000D+00
            P    8   1.00
                  1.381000D+02           5.796410D-03
                  3.224000D+01           4.157560D-02
                  9.985000D+00           1.628730D-01
                  3.484000D+00           3.594010D-01
                  1.231000D+00           4.499880D-01
                  4.177000D-01           2.275070D-01
                  6.513000D-02           8.082470D-03
                  2.053000D-02          -1.962930D-03
            P    8   1.00
                  1.381000D+02          -5.815310D-04
                  3.224000D+01          -4.073060D-03
                  9.985000D+00          -1.679370D-02
                  3.484000D+00          -3.532680D-02
                  1.231000D+00          -5.219710D-02
                  4.177000D-01          -1.683590D-02
                  6.513000D-02           4.346130D-01
                  2.053000D-02           6.582180D-01
            P    1   1.00
                  2.053000D-02           1.000000D+00
            P    1   1.00
                  5.700000D-03           1.000000D+00
            D    1   1.00
                  9.280000D-02           1.0000000
            D    1   1.00
                  4.800000D-02           1.000000D+00
            ****
            -Mg     0
            S    12   1.00
                  4.739000D+04           3.460230D-04
                  7.108000D+03           2.680770D-03
                  1.618000D+03           1.383670D-02
                  4.584000D+02           5.517670D-02
                  1.493000D+02           1.696600D-01
                  5.359000D+01           3.647030D-01
                  2.070000D+01           4.068560D-01
                  8.384000D+00           1.350890D-01
                  2.542000D+00           4.908840D-03
                  8.787000D-01           2.864600D-04
                  1.077000D-01           2.645900D-05
                  3.999000D-02          -1.127080D-05
            S    12   1.00
                  4.739000D+04          -8.778390D-05
                  7.108000D+03          -6.747250D-04
                  1.618000D+03          -3.556030D-03
                  4.584000D+02          -1.421540D-02
                  1.493000D+02          -4.767480D-02
                  5.359000D+01          -1.148920D-01
                  2.070000D+01          -2.006760D-01
                  8.384000D+00          -3.412240D-02
                  2.542000D+00           5.704540D-01
                  8.787000D-01           5.423090D-01
                  1.077000D-01           2.181280D-02
                  3.999000D-02          -8.277000D-03
            S    12   1.00
                  4.739000D+04           1.696280D-05
                  7.108000D+03           1.298650D-04
                  1.618000D+03           6.888310D-04
                  4.584000D+02           2.735330D-03
                  1.493000D+02           9.312240D-03
                  5.359000D+01           2.232650D-02
                  2.070000D+01           4.111950D-02
                  8.384000D+00           5.456420D-03
                  2.542000D+00          -1.340120D-01
                  8.787000D-01          -2.561760D-01
                  1.077000D-01           6.058560D-01
                  3.999000D-02           5.094460D-01
            S    1   1.00
                  3.999000D-02           1.000000D+00
            S    1   1.00
                  1.420000D-02           1.000000D+00
            P    8   1.00
                  1.799000D+02           5.381610D-03
                  4.214000D+01           3.924180D-02
                  1.313000D+01           1.574450D-01
                  4.628000D+00           3.585350D-01
                  1.670000D+00           4.572260D-01
                  5.857000D-01           2.159180D-01
                  1.311000D-01           6.649480D-03
                  4.112000D-02          -1.253040D-04
            P    8   1.00
                  1.799000D+02          -8.659480D-04
                  4.214000D+01          -6.159780D-03
                  1.313000D+01          -2.615190D-02
                  4.628000D+00          -5.706470D-02
                  1.670000D+00          -8.739060D-02
                  5.857000D-01          -1.229900D-02
                  1.311000D-01           5.020850D-01
                  4.112000D-02           5.972450D-01
            P    1   1.00
                  4.112000D-02           1.000000D+00
            P    1   1.00
                  1.050000D-02           1.000000D+00
            D    1   1.00
                  1.932000D-01           1.0000000
            D    1   1.00
                  6.050000D-02           1.000000D+00
            ****
            -Al     0
            S    12   1.00
                  6.415000D+04           2.902500D-04
                  9.617000D+03           2.250640D-03
                  2.189000D+03           1.164590D-02
                  6.205000D+02           4.673770D-02
                  2.027000D+02           1.462990D-01
                  7.315000D+01           3.302830D-01
                  2.855000D+01           4.158610D-01
                  1.177000D+01           1.892530D-01
                  3.300000D+00           1.158890D-02
                  1.173000D+00          -1.283850D-03
                  1.752000D-01           4.258830D-04
                  6.473000D-02          -1.992800D-04
            S    12   1.00
                  6.415000D+04          -7.580480D-05
                  9.617000D+03          -5.817910D-04
                  2.189000D+03          -3.081130D-03
                  6.205000D+02          -1.231120D-02
                  2.027000D+02          -4.197810D-02
                  7.315000D+01          -1.033710D-01
                  2.855000D+01          -1.963080D-01
                  1.177000D+01          -8.300020D-02
                  3.300000D+00           5.410400D-01
                  1.173000D+00           5.787960D-01
                  1.752000D-01           2.881470D-02
                  6.473000D-02          -9.537950D-03
            S    12   1.00
                  6.415000D+04           1.750780D-05
                  9.617000D+03           1.342080D-04
                  2.189000D+03           7.124420D-04
                  6.205000D+02           2.843300D-03
                  2.027000D+02           9.768420D-03
                  7.315000D+01           2.418500D-02
                  2.855000D+01           4.749930D-02
                  1.177000D+01           2.036210D-02
                  3.300000D+00          -1.587880D-01
                  1.173000D+00          -3.116940D-01
                  1.752000D-01           6.201470D-01
                  6.473000D-02           5.209430D-01
            S    1   1.00
                  6.473000D-02           1.000000D+00
            S    1   1.00
                  0.0231000              1.0000000
            P    8   1.00
                  2.588000D+02           4.068470D-03
                  6.089000D+01           3.068150D-02
                  1.914000D+01           1.291490D-01
                  6.881000D+00           3.208310D-01
                  2.574000D+00           4.538150D-01
                  9.572000D-01           2.750660D-01
                  2.099000D-01           1.908070D-02
                  5.986000D-02          -3.128480D-03
            P    8   1.00
                  2.588000D+02          -7.480530D-04
                  6.089000D+01          -5.457960D-03
                  1.914000D+01          -2.453710D-02
                  6.881000D+00          -5.821380D-02
                  2.574000D+00          -9.837560D-02
                  9.572000D-01          -2.600640D-02
                  2.099000D-01           4.640200D-01
                  5.986000D-02           6.488700D-01
            P    1   1.00
                  5.986000D-02           1.000000D+00
            P    1   1.00
                  0.0153000              1.0000000
            D    1   1.00
                  1.890000D-01           1.0000000
            D    1   1.00
                  0.0535000              1.0000000
            ****
            -Si     0
            S    12   1.00
                  7.886000D+04           2.704430D-04
                  1.182000D+04           2.097170D-03
                  2.692000D+03           1.085060D-02
                  7.634000D+02           4.367540D-02
                  2.496000D+02           1.376530D-01
                  9.028000D+01           3.166440D-01
                  3.529000D+01           4.185810D-01
                  1.451000D+01           2.102120D-01
                  4.053000D+00           1.449520D-02
                  1.482000D+00          -2.035900D-03
                  2.517000D-01           6.241860D-04
                  9.243000D-02          -2.828720D-04
            S    12   1.00
                  7.886000D+04          -7.231770D-05
                  1.182000D+04          -5.551160D-04
                  2.692000D+03          -2.938050D-03
                  7.634000D+02          -1.176870D-02
                  2.496000D+02          -4.029070D-02
                  9.028000D+01          -1.006090D-01
                  3.529000D+01          -1.965280D-01
                  1.451000D+01          -1.023820D-01
                  4.053000D+00           5.271900D-01
                  1.482000D+00           5.932510D-01
                  2.517000D-01           3.326520D-02
                  9.243000D-02          -9.736620D-03
            S    12   1.00
                  7.886000D+04           1.851130D-05
                  1.182000D+04           1.422360D-04
                  2.692000D+03           7.521850D-04
                  7.634000D+02           3.022790D-03
                  2.496000D+02           1.036770D-02
                  9.028000D+01           2.625630D-02
                  3.529000D+01           5.239890D-02
                  1.451000D+01           2.909590D-02
                  4.053000D+00          -1.780030D-01
                  1.482000D+00          -3.468740D-01
                  2.517000D-01           6.230200D-01
                  9.243000D-02           5.377120D-01
            S    1   1.00
                  9.243000D-02           1.000000D+00
            S    1   1.00
                  0.0332000              1.0000000
            P    8   1.00
                  3.159000D+02           3.926560D-03
                  7.442000D+01           2.988110D-02
                  2.348000D+01           1.272120D-01
                  8.488000D+00           3.209430D-01
                  3.217000D+00           4.554290D-01
                  1.229000D+00           2.685630D-01
                  2.964000D-01           1.883360D-02
                  8.768000D-02          -2.624310D-03
            P    8   1.00
                  3.159000D+02          -8.583020D-04
                  7.442000D+01          -6.303280D-03
                  2.348000D+01          -2.882550D-02
                  8.488000D+00          -6.945600D-02
                  3.217000D+00          -1.194930D-01
                  1.229000D+00          -1.995810D-02
                  2.964000D-01           5.102680D-01
                  8.768000D-02           6.003820D-01
            P    1   1.00
                  8.768000D-02           1.000000D+00
            P    1   1.00
                  0.0250000              1.0000000
            D    1   1.00
                  2.750000D-01           1.0000000
            D    1   1.00
                  0.0823000              1.0000000
            ****
            -P     0
            S    12   1.00
                  9.484000D+04           2.555090D-04
                  1.422000D+04           1.981930D-03
                  3.236000D+03           1.027600D-02
                  9.171000D+02           4.148230D-02
                  2.995000D+02           1.319840D-01
                  1.081000D+02           3.086620D-01
                  4.218000D+01           4.206470D-01
                  1.728000D+01           2.228780D-01
                  4.858000D+00           1.640350D-02
                  1.818000D+00          -2.542550D-03
                  3.372000D-01           7.480500D-04
                  1.232000D-01          -3.309630D-04
            S    12   1.00
                  9.484000D+04          -6.969390D-05
                  1.422000D+04          -5.352660D-04
                  3.236000D+03          -2.837090D-03
                  9.171000D+02          -1.139830D-02
                  2.995000D+02          -3.929290D-02
                  1.081000D+02          -9.963640D-02
                  4.218000D+01          -1.979830D-01
                  1.728000D+01          -1.148600D-01
                  4.858000D+00           5.185950D-01
                  1.818000D+00           6.018470D-01
                  3.372000D-01           3.686120D-02
                  1.232000D-01          -9.707590D-03
            S    12   1.00
                  9.484000D+04           1.911990D-05
                  1.422000D+04           1.472230D-04
                  3.236000D+03           7.779120D-04
                  9.171000D+02           3.145460D-03
                  2.995000D+02           1.082000D-02
                  1.081000D+02           2.799570D-02
                  4.218000D+01           5.639780D-02
                  1.728000D+01           3.581900D-02
                  4.858000D+00          -1.933870D-01
                  1.818000D+00          -3.720970D-01
                  3.372000D-01           6.242460D-01
                  1.232000D-01           5.517210D-01
            S    1   1.00
                  1.232000D-01           1.000000D+00
            S    1   1.00
                  0.0417000              1.0000000
            P    8   1.00
                  3.705000D+02           3.950050D-03
                  8.733000D+01           3.024920D-02
                  2.759000D+01           1.295540D-01
                  1.000000D+01           3.275940D-01
                  3.825000D+00           4.569920D-01
                  1.494000D+00           2.530860D-01
                  3.921000D-01           1.687980D-02
                  1.186000D-01          -2.070930D-03
            P    8   1.00
                  3.705000D+02          -9.598320D-04
                  8.733000D+01          -7.111770D-03
                  2.759000D+01          -3.271220D-02
                  1.000000D+01          -7.957840D-02
                  3.825000D+00          -1.350160D-01
                  1.494000D+00          -9.105850D-03
                  3.921000D-01           5.378020D-01
                  1.186000D-01           5.690660D-01
            P    1   1.00
                  1.186000D-01           1.000000D+00
            P    1   1.00
                  0.0343000              1.0000000
            D    1   1.00
                  3.730000D-01           1.0000000
            D    1   1.00
                  0.1130000              1.0000000
            ****
            -S     0
            S    12   1.00
                  1.108000D+05           2.476350D-04
                  1.661000D+04           1.920260D-03
                  3.781000D+03           9.961920D-03
                  1.071000D+03           4.029750D-02
                  3.498000D+02           1.286040D-01
                  1.263000D+02           3.034800D-01
                  4.926000D+01           4.214320D-01
                  2.016000D+01           2.307810D-01
                  5.720000D+00           1.789710D-02
                  2.182000D+00          -2.975160D-03
                  4.327000D-01           8.495220D-04
                  1.570000D-01          -3.679360D-04
            S    12   1.00
                  1.108000D+05          -6.870390D-05
                  1.661000D+04          -5.276810D-04
                  3.781000D+03          -2.796710D-03
                  1.071000D+03          -1.126510D-02
                  3.498000D+02          -3.888340D-02
                  1.263000D+02          -9.950250D-02
                  4.926000D+01          -1.997400D-01
                  2.016000D+01          -1.233600D-01
                  5.720000D+00           5.131940D-01
                  2.182000D+00           6.071200D-01
                  4.327000D-01           3.967530D-02
                  1.570000D-01          -9.468640D-03
            S    12   1.00
                  1.108000D+05           1.990770D-05
                  1.661000D+04           1.534830D-04
                  3.781000D+03           8.095030D-04
                  1.071000D+03           3.289740D-03
                  3.498000D+02           1.129670D-02
                  1.263000D+02           2.963850D-02
                  4.926000D+01           5.998510D-02
                  2.016000D+01           4.132480D-02
                  5.720000D+00          -2.074740D-01
                  2.182000D+00          -3.928890D-01
                  4.327000D-01           6.328400D-01
                  1.570000D-01           5.569240D-01
            S    1   1.00
                  1.570000D-01           1.000000D+00
            S    1   1.00
                  0.0507000              1.0000000
            P    8   1.00
                  3.997000D+02           4.475410D-03
                  9.419000D+01           3.417080D-02
                  2.975000D+01           1.442500D-01
                  1.077000D+01           3.539280D-01
                  4.119000D+00           4.590850D-01
                  1.625000D+00           2.063830D-01
                  4.726000D-01           1.021410D-02
                  1.407000D-01          -6.031220D-05
            P    8   1.00
                  3.997000D+02          -1.162510D-03
                  9.419000D+01          -8.656640D-03
                  2.975000D+01          -3.908860D-02
                  1.077000D+01          -9.346250D-02
                  4.119000D+00          -1.479940D-01
                  1.625000D+00           3.019040D-02
                  4.726000D-01           5.615730D-01
                  1.407000D-01           5.347760D-01
            P    1   1.00
                  1.407000D-01           1.000000D+00
            P    1   1.00
                  0.0399000              1.0000000
            D    1   1.00
                  4.790000D-01           1.0000000
            D    1   1.00
                  0.1520000              1.0000000
            ****
            -Cl     0
            S    12   1.00
                  1.279000D+05           2.411530D-04
                  1.917000D+04           1.870950D-03
                  4.363000D+03           9.708270D-03
                  1.236000D+03           3.931530D-02
                  4.036000D+02           1.259320D-01
                  1.457000D+02           2.993410D-01
                  5.681000D+01           4.218860D-01
                  2.323000D+01           2.372010D-01
                  6.644000D+00           1.915310D-02
                  2.575000D+00          -3.347920D-03
                  5.371000D-01           9.298830D-04
                  1.938000D-01          -3.963790D-04
            S    12   1.00
                  1.279000D+05          -6.789220D-05
                  1.917000D+04          -5.218360D-04
                  4.363000D+03          -2.765130D-03
                  1.236000D+03          -1.115370D-02
                  4.036000D+02          -3.859190D-02
                  1.457000D+02          -9.948480D-02
                  5.681000D+01          -2.013920D-01
                  2.323000D+01          -1.303130D-01
                  6.644000D+00           5.094430D-01
                  2.575000D+00           6.107250D-01
                  5.371000D-01           4.215490D-02
                  1.938000D-01          -9.234270D-03
            S    12   1.00
                  1.279000D+05           2.049860D-05
                  1.917000D+04           1.582980D-04
                  4.363000D+03           8.336390D-04
                  1.236000D+03           3.398800D-03
                  4.036000D+02           1.167380D-02
                  1.457000D+02           3.096220D-02
                  5.681000D+01           6.295330D-02
                  2.323000D+01           4.602570D-02
                  6.644000D+00          -2.193120D-01
                  2.575000D+00          -4.087730D-01
                  5.371000D-01           6.384650D-01
                  1.938000D-01           5.623620D-01
            S    1   1.00
                  1.938000D-01           1.000000D+00
            S    1   1.00
                  0.0608000              1.0000000
            P    8   1.00
                  4.176000D+02           5.259820D-03
                  9.833000D+01           3.983320D-02
                  3.104000D+01           1.646550D-01
                  1.119000D+01           3.873220D-01
                  4.249000D+00           4.570720D-01
                  1.624000D+00           1.516360D-01
                  5.322000D-01           1.816150D-03
                  1.620000D-01           1.882960D-03
            P    8   1.00
                  4.176000D+02          -1.435700D-03
                  9.833000D+01          -1.077960D-02
                  3.104000D+01          -4.700750D-02
                  1.119000D+01          -1.110300D-01
                  4.249000D+00          -1.532750D-01
                  1.624000D+00           8.946090D-02
                  5.322000D-01           5.794440D-01
                  1.620000D-01           4.832720D-01
            P    1   1.00
                  1.620000D-01           1.000000D+00
            P    1   1.00
                  0.0466000              1.0000000
            D    1   1.00
                  6.000000D-01           1.0000000
            D    1   1.00
                  0.1960000              1.0000000
            ****
            -Ar     0
            S    12   1.00
                  1.457000D+05           2.367000D-04
                  2.184000D+04           1.835230D-03
                  4.972000D+03           9.528600D-03
                  1.408000D+03           3.862830D-02
                  4.597000D+02           1.240810D-01
                  1.659000D+02           2.964710D-01
                  6.469000D+01           4.220680D-01
                  2.644000D+01           2.417110D-01
                  7.628000D+00           2.005090D-02
                  2.996000D+00          -3.610000D-03
                  6.504000D-01           9.756070D-04
                  2.337000D-01          -4.113160D-04
            S    12   1.00
                  1.457000D+05          -6.749100D-05
                  2.184000D+04          -5.185220D-04
                  4.972000D+03          -2.748250D-03
                  1.408000D+03          -1.110070D-02
                  4.597000D+02          -3.848200D-02
                  1.659000D+02          -9.975990D-02
                  6.469000D+01          -2.030880D-01
                  2.644000D+01          -1.356080D-01
                  7.628000D+00           5.071950D-01
                  2.996000D+00           6.128980D-01
                  6.504000D-01           4.429680D-02
                  2.337000D-01          -8.992780D-03
            S    12   1.00
                  1.457000D+05           2.104570D-05
                  2.184000D+04           1.625650D-04
                  4.972000D+03           8.554630D-04
                  1.408000D+03           3.497450D-03
                  4.597000D+02           1.201560D-02
                  1.659000D+02           3.213680D-02
                  6.469000D+01           6.552790D-02
                  2.644000D+01           4.993700D-02
                  7.628000D+00          -2.297690D-01
                  2.996000D+00          -4.210060D-01
                  6.504000D-01           6.423310D-01
                  2.337000D-01           5.675400D-01
            S    1   1.00
                  2.337000D-01           1.000000D+00
            S    1   1.00
                  0.0709000              1.0000000
            P    8   1.00
                  4.537000D+02           5.705550D-03
                  1.068000D+02           4.304600D-02
                  3.373000D+01           1.765910D-01
                  1.213000D+01           4.068630D-01
                  4.594000D+00           4.525490D-01
                  1.678000D+00           1.228010D-01
                  5.909000D-01          -4.459960D-03
                  1.852000D-01           2.052250D-03
            P    8   1.00
                  4.537000D+02          -1.606550D-03
                  1.068000D+02          -1.217140D-02
                  3.373000D+01          -5.207890D-02
                  1.213000D+01          -1.237370D-01
                  4.594000D+00          -1.516190D-01
                  1.678000D+00           1.424250D-01
                  5.909000D-01           5.845010D-01
                  1.852000D-01           4.375400D-01
            P    1   1.00
                  1.852000D-01           1.000000D+00
            P    1   1.00
                  0.0533000              1.0000000
            D    1   1.00
                  7.380000D-01           1.0000000
            D    1   1.00
                  0.2400000              1.0000000
            ****
            -Sc     0
            S    20   1.00
                  2.715278D+06           8.147221D-06
                  4.065984D+05           6.334788D-05
                  9.253004D+04           3.330384D-04
                  2.620792D+04           1.404055D-03
                  8.549429D+03           5.081725D-03
                  3.085975D+03           1.626926D-02
                  1.203172D+03           4.624577D-02
                  4.984869D+02           1.137223D-01
                  2.167360D+02           2.257636D-01
                  9.787476D+01           3.106700D-01
                  4.520433D+01           2.191906D-01
                  2.021187D+01           7.215879D-02
                  9.574751D+00           1.187030D-01
                  4.540346D+00           1.220532D-01
                  1.995687D+00           2.136795D-02
                  9.422150D-01          -5.357246D-04
                  4.178450D-01           2.435774D-04
                  9.576100D-02          -8.796617D-05
                  5.135100D-02           7.878246D-05
                  2.387800D-02          -1.637155D-05
            S    20   1.00
                  2.715278D+06          -4.722109D-06
                  4.065984D+05          -3.671829D-05
                  9.253004D+04          -1.930883D-04
                  2.620792D+04          -8.146870D-04
                  8.549429D+03          -2.955526D-03
                  3.085975D+03          -9.520035D-03
                  1.203172D+03          -2.746858D-02
                  4.984869D+02          -6.991528D-02
                  2.167360D+02          -1.499251D-01
                  9.787476D+01          -2.459153D-01
                  4.520433D+01          -2.401293D-01
                  2.021187D+01           3.567987D-02
                  9.574751D+00           4.915023D-01
                  4.540346D+00           4.911381D-01
                  1.995687D+00           9.120633D-02
                  9.422150D-01          -5.356723D-03
                  4.178450D-01           8.812836D-04
                  9.576100D-02          -7.605536D-04
                  5.135100D-02           6.340116D-04
                  2.387800D-02          -1.556163D-04
            S    20   1.00
                  2.715278D+06           9.139905D-07
                  4.065984D+05           7.108513D-06
                  9.253004D+04           3.738126D-05
                  2.620792D+04           1.578828D-04
                  8.549429D+03           5.737686D-04
                  3.085975D+03           1.859244D-03
                  1.203172D+03           5.433182D-03
                  4.984869D+02           1.425387D-02
                  2.167360D+02           3.246144D-02
                  9.787476D+01           6.003454D-02
                  4.520433D+01           6.916105D-02
                  2.021187D+01          -2.113084D-02
                  9.574751D+00          -2.666832D-01
                  4.540346D+00          -4.367591D-01
                  1.995687D+00           6.498243D-02
                  9.422150D-01           7.009599D-01
                  4.178450D-01           4.515562D-01
                  9.576100D-02           3.011910D-02
                  5.135100D-02          -1.329480D-02
                  2.387800D-02           4.633679D-03
            S    20   1.00
                  2.715278D+06          -2.201951D-07
                  4.065984D+05          -1.711419D-06
                  9.253004D+04          -9.008469D-06
                  2.620792D+04          -3.799997D-05
                  8.549429D+03          -1.383227D-04
                  3.085975D+03          -4.473692D-04
                  1.203172D+03          -1.310691D-03
                  4.984869D+02          -3.429860D-03
                  2.167360D+02          -7.847579D-03
                  9.787476D+01          -1.447189D-02
                  4.520433D+01          -1.690669D-02
                  2.021187D+01           5.396115D-03
                  9.574751D+00           6.671062D-02
                  4.540346D+00           1.178356D-01
                  1.995687D+00          -2.738134D-02
                  9.422150D-01          -2.260149D-01
                  4.178450D-01          -3.073539D-01
                  9.576100D-02           2.544054D-01
                  5.135100D-02           5.981590D-01
                  2.387800D-02           3.115202D-01
            S    20   1.00
                  2.715278D+06          -3.757238D-07
                  4.065984D+05          -2.981907D-06
                  9.253004D+04          -1.522586D-05
                  2.620792D+04          -6.684686D-05
                  8.549429D+03          -2.313129D-04
                  3.085975D+03          -7.959729D-04
                  1.203172D+03          -2.161961D-03
                  4.984869D+02          -6.206459D-03
                  2.167360D+02          -1.261905D-02
                  9.787476D+01          -2.739459D-02
                  4.520433D+01          -2.336516D-02
                  2.021187D+01          -5.734627D-03
                  9.574751D+00           1.536025D-01
                  4.540346D+00           1.447100D-01
                  1.995687D+00           9.359699D-02
                  9.422150D-01          -8.687730D-01
                  4.178450D-01           2.114597D-02
                  9.576100D-02           2.275498D+00
                  5.135100D-02          -1.190770D+00
                  2.387800D-02          -7.674257D-01
            S    1   1.00
                  2.387800D-02           1.000000D+00
            S    1   1.00
                  1.110000D-02           1.000000D+00
            P    16   1.00
                  1.059219D+04           4.500000D-05
                  2.507533D+03           4.010000D-04
                  8.144571D+02           2.302000D-03
                  3.115195D+02           1.003700D-02
                  1.319617D+02           3.495400D-02
                  5.998718D+01           9.790900D-02
                  2.866250D+01           2.106800D-01
                  1.410851D+01           3.300930D-01
                  7.103706D+00           3.310270D-01
                  3.609200D+00           1.579600D-01
                  1.776070D+00           2.209900D-02
                  8.547600D-01          -1.605000D-03
                  4.022390D-01          -1.326000D-03
                  1.546650D-01          -2.800000D-04
                  6.494500D-02           3.400000D-05
                  2.635900D-02          -1.300000D-05
            P    16   1.00
                  1.059219D+04          -1.500000D-05
                  2.507533D+03          -1.310000D-04
                  8.144571D+02          -7.570000D-04
                  3.115195D+02          -3.318000D-03
                  1.319617D+02          -1.170600D-02
                  5.998718D+01          -3.360400D-02
                  2.866250D+01          -7.487900D-02
                  1.410851D+01          -1.225480D-01
                  7.103706D+00          -1.302760D-01
                  3.609200D+00           1.459600D-02
                  1.776070D+00           3.091840D-01
                  8.547600D-01           4.629980D-01
                  4.022390D-01           3.049570D-01
                  1.546650D-01           5.087800D-02
                  6.494500D-02          -4.493000D-03
                  2.635900D-02           1.832000D-03
            P    16   1.00
                  1.059219D+04          -4.000000D-06
                  2.507533D+03          -3.200000D-05
                  8.144571D+02          -1.850000D-04
                  3.115195D+02          -8.080000D-04
                  1.319617D+02          -2.870000D-03
                  5.998718D+01          -8.207000D-03
                  2.866250D+01          -1.847300D-02
                  1.410851D+01          -3.010100D-02
                  7.103706D+00          -3.294300D-02
                  3.609200D+00           7.958000D-03
                  1.776070D+00           8.799300D-02
                  8.547600D-01           1.523770D-01
                  4.022390D-01           9.717000D-02
                  1.546650D-01          -2.569380D-01
                  6.494500D-02          -5.878150D-01
                  2.635900D-02          -3.054210D-01
            P    16   1.00
                  1.059219D+04           4.000000D-06
                  2.507533D+03           3.900000D-05
                  8.144571D+02           2.210000D-04
                  3.115195D+02           9.840000D-04
                  1.319617D+02           3.423000D-03
                  5.998718D+01           9.993000D-03
                  2.866250D+01           2.191600D-02
                  1.410851D+01           3.700800D-02
                  7.103706D+00           3.779400D-02
                  3.609200D+00          -4.379000D-03
                  1.776070D+00          -1.101640D-01
                  8.547600D-01          -1.610170D-01
                  4.022390D-01          -1.824820D-01
                  1.546650D-01           3.886110D-01
                  6.494500D-02           6.911000D-01
                  2.635900D-02           7.960400D-02
            P    1   1.00
                  2.635900D-02           1.000000D+00
            P    1   1.00
                  1.066000D-02           1.000000D+00
            D    8   1.00
                  5.051380D+01           4.266000D-03
                  1.474050D+01           2.770800D-02
                  5.195000D+00           1.000010D-01
                  2.028460D+00           2.315810D-01
                  8.040860D-01           3.460330D-01
                  3.076890D-01           3.733740D-01
                  1.113920D-01           2.642880D-01
                  3.735200D-02           6.366700D-02
            D    8   1.00
                  5.051380D+01          -4.389000D-03
                  1.474050D+01          -2.836300D-02
                  5.195000D+00          -1.051370D-01
                  2.028460D+00          -2.348540D-01
                  8.040860D-01          -3.246090D-01
                  3.076890D-01          -6.428900D-02
                  1.113920D-01           6.017490D-01
                  3.735200D-02           3.903000D-01
            D    1   1.00
                  3.735200D-02           1.000000D+00
            D    1   1.00
                  1.244000D-02           1.000000D+00
            F    2   1.00
                  7.126000D-01           3.617450D-01
                  1.636000D-01           8.218680D-01
            F    1   1.00
                  4.063000D-02           1.000000D+00
            ****
            -Ti     0
            S    20   1.00
                  3.014643D+06           8.060782D-06
                  4.514329D+05           6.267518D-05
                  1.027338D+05           3.295006D-04
                  2.909817D+04           1.389203D-03
                  9.492330D+03           5.028469D-03
                  3.426346D+03           1.610419D-02
                  1.335896D+03           4.581232D-02
                  5.535026D+02           1.128613D-01
                  2.406925D+02           2.248193D-01
                  1.087293D+02           3.114571D-01
                  5.026457D+01           2.224995D-01
                  2.258004D+01           7.293128D-02
                  1.071432D+01           1.160683D-01
                  5.093546D+00           1.194774D-01
                  2.244183D+00           2.097868D-02
                  1.059570D+00          -5.091715D-04
                  4.688490D-01           2.217859D-04
                  1.061430D-01          -7.636896D-05
                  5.526200D-02           7.719539D-05
                  2.546500D-02          -1.149056D-05
            S    20   1.00
                  3.014643D+06          -4.630486D-06
                  4.514329D+05          -3.600451D-05
                  1.027338D+05          -1.893420D-04
                  2.909817D+04          -7.988781D-04
                  9.492330D+03          -2.898698D-03
                  3.426346D+03          -9.339701D-03
                  1.335896D+03          -2.697464D-02
                  5.535026D+02          -6.878913D-02
                  2.406925D+02          -1.481037D-01
                  1.087293D+02          -2.445253D-01
                  5.026457D+01          -2.419916D-01
                  2.258004D+01           3.183790D-02
                  1.071432D+01           4.932686D-01
                  5.093546D+00           4.939655D-01
                  2.244183D+00           9.196313D-02
                  1.059570D+00          -5.316992D-03
                  4.688490D-01           8.085624D-04
                  1.061430D-01          -6.918459D-04
                  5.526200D-02           6.086512D-04
                  2.546500D-02          -1.313842D-04
            S    20   1.00
                  3.014643D+06           9.230559D-07
                  4.514329D+05           7.178974D-06
                  1.027338D+05           3.775134D-05
                  2.909817D+04           1.594532D-04
                  9.492330D+03           5.795150D-04
                  3.426346D+03           1.878414D-03
                  1.335896D+03           5.492747D-03
                  5.535026D+02           1.443297D-02
                  2.406925D+02           3.296408D-02
                  1.087293D+02           6.125493D-02
                  5.026457D+01           7.134113D-02
                  2.258004D+01          -1.973150D-02
                  1.071432D+01          -2.741869D-01
                  5.093546D+00          -4.440977D-01
                  2.244183D+00           7.776084D-02
                  1.059570D+00           7.068444D-01
                  4.688490D-01           4.413892D-01
                  1.061430D-01           2.799769D-02
                  5.526200D-02          -1.210790D-02
                  2.546500D-02           4.324762D-03
            S    20   1.00
                  3.014643D+06          -2.180323D-07
                  4.514329D+05          -1.694860D-06
                  1.027338D+05          -8.919208D-06
                  2.909817D+04          -3.763633D-05
                  9.492330D+03          -1.369575D-04
                  3.426346D+03          -4.432894D-04
                  1.335896D+03          -1.298868D-03
                  5.535026D+02          -3.406752D-03
                  2.406925D+02          -7.810829D-03
                  1.087293D+02          -1.449245D-02
                  5.026457D+01          -1.708136D-02
                  2.258004D+01           4.897666D-03
                  1.071432D+01           6.753108D-02
                  5.093546D+00           1.173318D-01
                  2.244183D+00          -2.985025D-02
                  1.059570D+00          -2.277634D-01
                  4.688490D-01          -2.928115D-01
                  1.061430D-01           2.665300D-01
                  5.526200D-02           5.912406D-01
                  2.546500D-02           3.037229D-01
            S    20   1.00
                  3.014643D+06          -3.975126D-07
                  4.514329D+05          -3.161080D-06
                  1.027338D+05          -1.609375D-05
                  2.909817D+04          -7.092947D-05
                  9.492330D+03          -2.442710D-04
                  3.426346D+03          -8.457892D-04
                  1.335896D+03          -2.282208D-03
                  5.535026D+02          -6.619873D-03
                  2.406925D+02          -1.335024D-02
                  1.087293D+02          -2.955830D-02
                  5.026457D+01          -2.477039D-02
                  2.258004D+01          -8.414624D-03
                  1.071432D+01           1.693855D-01
                  5.093546D+00           1.500787D-01
                  2.244183D+00           9.787777D-02
                  1.059570D+00          -9.653608D-01
                  4.688490D-01           1.489721D-01
                  1.061430D-01           2.191179D+00
                  5.526200D-02          -1.243325D+00
                  2.546500D-02          -6.711916D-01
            S    1   1.00
                  2.546500D-02           1.000000D+00
            S    1   1.00
                  1.173000D-02           1.000000D+00
            P    16   1.00
                  1.191203D+04           4.400000D-05
                  2.819947D+03           3.910000D-04
                  9.159479D+02           2.248000D-03
                  3.503842D+02           9.823000D-03
                  1.484825D+02           3.433800D-02
                  6.753944D+01           9.666600D-02
                  3.230332D+01           2.094170D-01
                  1.592786D+01           3.301890D-01
                  8.038035D+00           3.319360D-01
                  4.093916D+00           1.584880D-01
                  2.022390D+00           2.231000D-02
                  9.761020D-01          -1.566000D-03
                  4.595950D-01          -1.324000D-03
                  1.771520D-01          -2.710000D-04
                  7.351700D-02           3.200000D-05
                  2.940100D-02          -1.200000D-05
            P    16   1.00
                  1.191203D+04          -1.500000D-05
                  2.819947D+03          -1.310000D-04
                  9.159479D+02          -7.550000D-04
                  3.503842D+02          -3.319000D-03
                  1.484825D+02          -1.175000D-02
                  6.753944D+01          -3.392200D-02
                  3.230332D+01          -7.616400D-02
                  1.592786D+01          -1.257020D-01
                  8.038035D+00          -1.330980D-01
                  4.093916D+00           1.740600D-02
                  2.022390D+00           3.151650D-01
                  9.761020D-01           4.618140D-01
                  4.595950D-01           2.998560D-01
                  1.771520D-01           5.000000D-02
                  7.351700D-02          -4.230000D-03
                  2.940100D-02           1.725000D-03
            P    16   1.00
                  1.191203D+04           4.000000D-06
                  2.819947D+03           3.100000D-05
                  9.159479D+02           1.820000D-04
                  3.503842D+02           7.950000D-04
                  1.484825D+02           2.833000D-03
                  6.753944D+01           8.154000D-03
                  3.230332D+01           1.847200D-02
                  1.592786D+01           3.040000D-02
                  8.038035D+00           3.304700D-02
                  4.093916D+00          -8.251000D-03
                  2.022390D+00          -8.855400D-02
                  9.761020D-01          -1.496120D-01
                  4.595950D-01          -9.422700D-02
                  1.771520D-01           2.508460D-01
                  7.351700D-02           5.866430D-01
                  2.940100D-02           3.135350D-01
            P    16   1.00
                  1.191203D+04           4.000000D-06
                  2.819947D+03           3.900000D-05
                  9.159479D+02           2.230000D-04
                  3.503842D+02           9.920000D-04
                  1.484825D+02           3.476000D-03
                  6.753944D+01           1.017200D-02
                  3.230332D+01           2.257600D-02
                  1.592786D+01           3.823800D-02
                  8.038035D+00           3.933700D-02
                  4.093916D+00          -6.106000D-03
                  2.022390D+00          -1.129620D-01
                  9.761020D-01          -1.681140D-01
                  4.595950D-01          -1.659320D-01
                  1.771520D-01           3.914030D-01
                  7.351700D-02           6.818400D-01
                  2.940100D-02           8.403100D-02
            P    1   1.00
                  2.940100D-02           1.000000D+00
            P    1   1.00
                  1.176000D-02           1.000000D+00
            D    8   1.00
                  6.401300D+01           3.887000D-03
                  1.881790D+01           2.639900D-02
                  6.728700D+00           9.751100D-02
                  2.664130D+00           2.328480D-01
                  1.078680D+00           3.531520D-01
                  4.232090D-01           3.721860D-01
                  1.559990D-01           2.476720D-01
                  5.188400D-02           5.823600D-02
            D    8   1.00
                  6.401300D+01          -3.970000D-03
                  1.881790D+01          -2.687300D-02
                  6.728700D+00          -1.022750D-01
                  2.664130D+00          -2.377280D-01
                  1.078680D+00          -3.121140D-01
                  4.232090D-01          -4.237800D-02
                  1.559990D-01           5.886580D-01
                  5.188400D-02           4.103020D-01
            D    1   1.00
                  5.188400D-02           1.000000D+00
            D    1   1.00
                  1.726000D-02           1.000000D+00
            F    2   1.00
                  1.227400D+00           3.581580D-01
                  2.788000D-01           8.257940D-01
            F    1   1.00
                  8.266000D-02           1.000000D+00
            ****
            -V     0
            S    20   1.00
                  3.321857D+06           8.039999D-06
                  4.974356D+05           6.251402D-05
                  1.132027D+05           3.286553D-04
                  3.206333D+04           1.385697D-03
                  1.045962D+04           5.016217D-03
                  3.775506D+03           1.606931D-02
                  1.472040D+03           4.574242D-02
                  6.099331D+02           1.128544D-01
                  2.652634D+02           2.254344D-01
                  1.198607D+02           3.140461D-01
                  5.544891D+01           2.267819D-01
                  2.498372D+01           7.334069D-02
                  1.188056D+01           1.102474D-01
                  5.660311D+00           1.131358D-01
                  2.495703D+00           1.971295D-02
                  1.177866D+00          -4.719088D-04
                  5.200440D-01           1.861606D-04
                  1.159650D-01          -6.208598D-05
                  5.893800D-02           7.295314D-05
                  2.694600D-02          -6.362062D-06
            S    20   1.00
                  3.321857D+06          -4.503003D-06
                  4.974356D+05          -3.501295D-05
                  1.132027D+05          -1.841339D-04
                  3.206333D+04          -7.769216D-04
                  1.045962D+04          -2.819505D-03
                  3.775506D+03          -9.087486D-03
                  1.472040D+03          -2.627134D-02
                  6.099331D+02          -6.712726D-02
                  2.652634D+02          -1.451130D-01
                  1.198607D+02          -2.412483D-01
                  5.544891D+01          -2.416314D-01
                  2.498372D+01           3.067362D-02
                  1.188056D+01           4.970415D-01
                  5.660311D+00           4.958875D-01
                  2.495703D+00           9.181868D-02
                  1.177866D+00          -5.392514D-03
                  5.200440D-01           7.102380D-04
                  1.159650D-01          -6.363128D-04
                  5.893800D-02           5.979932D-04
                  2.694600D-02          -1.100879D-04
            S    20   1.00
                  3.321857D+06           9.320648D-07
                  4.974356D+05           7.249306D-06
                  1.132027D+05           3.811967D-05
                  3.206333D+04           1.610238D-04
                  1.045962D+04           5.852210D-04
                  3.775506D+03           1.897502D-03
                  1.472040D+03           5.550909D-03
                  6.099331D+02           1.460584D-02
                  2.652634D+02           3.342974D-02
                  1.198607D+02           6.235722D-02
                  5.544891D+01           7.312435D-02
                  2.498372D+01          -1.911472D-02
                  1.188056D+01          -2.817249D-01
                  5.660311D+00          -4.488151D-01
                  2.495703D+00           9.202696D-02
                  1.177866D+00           7.110117D-01
                  5.200440D-01           4.309274D-01
                  1.159650D-01           2.604589D-02
                  5.893800D-02          -1.101049D-02
                  2.694600D-02           4.106300D-03
            S    20   1.00
                  3.321857D+06          -2.158944D-07
                  4.974356D+05          -1.678519D-06
                  1.132027D+05          -8.831213D-06
                  3.206333D+04          -3.727769D-05
                  1.045962D+04          -1.356099D-04
                  3.775506D+03          -4.392351D-04
                  1.472040D+03          -1.286948D-03
                  6.099331D+02          -3.382149D-03
                  2.652634D+02          -7.765646D-03
                  1.198607D+02          -1.447985D-02
                  5.544891D+01          -1.715502D-02
                  2.498372D+01           4.610101D-03
                  1.188056D+01           6.827831D-02
                  5.660311D+00           1.161368D-01
                  2.495703D+00          -3.277049D-02
                  1.177866D+00          -2.280000D-01
                  5.200440D-01          -2.793991D-01
                  1.159650D-01           2.771165D-01
                  5.893800D-02           5.852999D-01
                  2.694600D-02           2.963946D-01
            S    20   1.00
                  3.321857D+06          -4.093416D-07
                  4.974356D+05          -3.258956D-06
                  1.132027D+05          -1.656390D-05
                  3.206333D+04          -7.316689D-05
                  1.045962D+04          -2.512784D-04
                  3.775506D+03          -8.732657D-04
                  1.472040D+03          -2.347654D-03
                  6.099331D+02          -6.853150D-03
                  2.652634D+02          -1.376420D-02
                  1.198607D+02          -3.084679D-02
                  5.544891D+01          -2.562208D-02
                  2.498372D+01          -1.005123D-02
                  1.188056D+01           1.795330D-01
                  5.660311D+00           1.522400D-01
                  2.495703D+00           9.483887D-02
                  1.177866D+00          -1.014876D+00
                  5.200440D-01           2.308810D-01
                  1.159650D-01           2.113321D+00
                  5.893800D-02          -1.253048D+00
                  2.694600D-02          -6.139502D-01
            S    1   1.00
                  2.694600D-02           1.000000D+00
            S    1   1.00
                  1.232000D-02           1.000000D+00
            P    16   1.00
                  1.327320D+04           4.300000D-05
                  3.142126D+03           3.840000D-04
                  1.020588D+03           2.210000D-03
                  3.904407D+02           9.678000D-03
                  1.655043D+02           3.393600D-02
                  7.532006D+01           9.591700D-02
                  3.605503D+01           2.088530D-01
                  1.780436D+01           3.306600D-01
                  9.002929D+00           3.323120D-01
                  4.594544D+00           1.581880D-01
                  2.276760D+00           2.225200D-02
                  1.101178D+00          -1.565000D-03
                  5.186380D-01          -1.353000D-03
                  2.005650D-01          -2.650000D-04
                  8.129100D-02           2.900000D-05
                  3.179500D-02          -1.100000D-05
            P    16   1.00
                  1.327320D+04          -1.500000D-05
                  3.142126D+03          -1.310000D-04
                  1.020588D+03          -7.550000D-04
                  3.904407D+02          -3.325000D-03
                  1.655043D+02          -1.181100D-02
                  7.532006D+01          -3.425600D-02
                  3.605503D+01          -7.736300D-02
                  1.780436D+01          -1.284560D-01
                  9.002929D+00          -1.350780D-01
                  4.594544D+00           2.083800D-02
                  2.276760D+00           3.204990D-01
                  1.101178D+00           4.602600D-01
                  5.186380D-01           2.953460D-01
                  2.005650D-01           4.904600D-02
                  8.129100D-02          -3.824000D-03
                  3.179500D-02           1.585000D-03
            P    16   1.00
                  1.327320D+04           4.000000D-06
                  3.142126D+03           3.200000D-05
                  1.020588D+03           1.830000D-04
                  3.904407D+02           8.020000D-04
                  1.655043D+02           2.862000D-03
                  7.532006D+01           8.287000D-03
                  3.605503D+01           1.887000D-02
                  1.780436D+01           3.130700D-02
                  9.002929D+00           3.366000D-02
                  4.594544D+00          -9.479000D-03
                  2.276760D+00          -9.231300D-02
                  1.101178D+00          -1.489890D-01
                  5.186380D-01          -8.364400D-02
                  2.005650D-01           2.493390D-01
                  8.129100D-02           5.805150D-01
                  3.179500D-02           3.223800D-01
            P    16   1.00
                  1.327320D+04           4.000000D-06
                  3.142126D+03           3.900000D-05
                  1.020588D+03           2.230000D-04
                  3.904407D+02           9.960000D-04
                  1.655043D+02           3.498000D-03
                  7.532006D+01           1.029600D-02
                  3.605503D+01           2.296200D-02
                  1.780436D+01           3.920800D-02
                  9.002929D+00           3.994300D-02
                  4.594544D+00          -7.121000D-03
                  2.276760D+00          -1.162250D-01
                  1.101178D+00          -1.694960D-01
                  5.186380D-01          -1.553740D-01
                  2.005650D-01           3.950220D-01
                  8.129100D-02           6.789080D-01
                  3.179500D-02           8.312200D-02
            P    1   1.00
                  3.179500D-02           1.000000D+00
            P    1   1.00
                  1.244000D-02           1.000000D+00
            D    8   1.00
                  7.761150D+01           3.595000D-03
                  2.291590D+01           2.521000D-02
                  8.279540D+00           9.478600D-02
                  3.309930D+00           2.303630D-01
                  1.358630D+00           3.528940D-01
                  5.413500D-01           3.704140D-01
                  2.023560D-01           2.457180D-01
                  6.756800D-02           6.099300D-02
            D    8   1.00
                  7.761150D+01          -3.818000D-03
                  2.291590D+01          -2.671700D-02
                  8.279540D+00          -1.036900D-01
                  3.309930D+00          -2.476890D-01
                  1.358630D+00          -3.115230D-01
                  5.413500D-01          -2.282700D-02
                  2.023560D-01           5.697260D-01
                  6.756800D-02           4.194930D-01
            D    1   1.00
                  6.756800D-02           1.000000D+00
            D    1   1.00
                  2.256000D-02           1.000000D+00
            F    2   1.00
                  1.748800D+00           3.900680D-01
                  4.057000D-01           8.008410D-01
            F    1   1.00
                  1.311200D-01           1.000000D+00
            ****
            -Cr     0
            S    20   1.00
                  6.177194D+06           4.128667D-06
                  9.249295D+05           3.210767D-05
                  2.104865D+05           1.688416D-04
                  5.962005D+04           7.128520D-04
                  1.945076D+04           2.589325D-03
                  7.022056D+03           8.377350D-03
                  2.738763D+03           2.441725D-02
                  1.135814D+03           6.365135D-02
                  4.950923D+02           1.427618D-01
                  2.247487D+02           2.541275D-01
                  1.053836D+02           3.009512D-01
                  5.019359D+01           1.766513D-01
                  2.224957D+01           6.936709D-02
                  1.098265D+01           1.179579D-01
                  5.383665D+00           8.916187D-02
                  2.343685D+00           1.103630D-02
                  1.105202D+00          -3.546048D-04
                  4.878480D-01           1.057311D-04
                  8.959900D-02           1.114640D-05
                  3.342300D-02           2.661387D-05
            S    20   1.00
                  6.177194D+06          -2.301772D-06
                  9.249295D+05          -1.789536D-05
                  2.104865D+05          -9.416174D-05
                  5.962005D+04          -3.975074D-04
                  1.945076D+04          -1.447025D-03
                  7.022056D+03          -4.694622D-03
                  2.738763D+03          -1.382387D-02
                  1.135814D+03          -3.674643D-02
                  4.950923D+02          -8.647185D-02
                  2.247487D+02          -1.696735D-01
                  1.053836D+02          -2.507089D-01
                  5.019359D+01          -1.961156D-01
                  2.224957D+01           1.457244D-01
                  1.098265D+01           5.466706D-01
                  5.383665D+00           3.979434D-01
                  2.343685D+00           5.277007D-02
                  1.105202D+00          -4.374537D-03
                  4.878480D-01           3.204035D-04
                  8.959900D-02          -5.142077D-05
                  3.342300D-02           1.584134D-04
            S    20   1.00
                  6.177194D+06           4.862957D-07
                  9.249295D+05           3.776645D-06
                  2.104865D+05           1.990664D-05
                  5.962005D+04           8.389164D-05
                  1.945076D+04           3.065706D-04
                  7.022056D+03           9.944107D-04
                  2.738763D+03           2.961959D-03
                  1.135814D+03           7.969473D-03
                  4.950923D+02           1.955017D-02
                  2.247487D+02           4.085035D-02
                  1.053836D+02           6.929003D-02
                  5.019359D+01           6.146984D-02
                  2.224957D+01          -6.981302D-02
                  1.098265D+01          -3.517597D-01
                  5.383665D+00          -3.828629D-01
                  2.343685D+00           2.676401D-01
                  1.105202D+00           7.175950D-01
                  4.878480D-01           3.020814D-01
                  8.959900D-02           7.749514D-03
                  3.342300D-02           2.696096D-04
            S    20   1.00
                  6.177194D+06          -1.102451D-07
                  9.249295D+05          -8.530233D-07
                  2.104865D+05          -4.520358D-06
                  5.962005D+04          -1.891612D-05
                  1.945076D+04          -6.974344D-05
                  7.022056D+03          -2.237867D-04
                  2.738763D+03          -6.754503D-04
                  1.135814D+03          -1.789346D-03
                  4.950923D+02          -4.477858D-03
                  2.247487D+02          -9.140144D-03
                  1.053836D+02          -1.610562D-02
                  5.019359D+01          -1.334870D-02
                  2.224957D+01           1.426027D-02
                  1.098265D+01           8.931690D-02
                  5.383665D+00           8.885279D-02
                  2.343685D+00          -6.368776D-02
                  1.105202D+00          -2.783262D-01
                  4.878480D-01          -1.830071D-01
                  8.959900D-02           6.790937D-01
                  3.342300D-02           4.672953D-01
            S    20   1.00
                  6.177194D+06           2.179893D-07
                  9.249295D+05           1.612940D-06
                  2.104865D+05           9.111842D-06
                  5.962005D+04           3.500645D-05
                  1.945076D+04           1.435315D-04
                  7.022056D+03           4.035896D-04
                  2.738763D+03           1.425177D-03
                  1.135814D+03           3.114009D-03
                  4.950923D+02           9.814449D-03
                  2.247487D+02           1.474698D-02
                  1.053836D+02           3.911512D-02
                  5.019359D+01           9.170888D-03
                  2.224957D+01           1.559878D-02
                  1.098265D+01          -2.816844D-01
                  5.383665D+00          -6.895261D-03
                  2.343685D+00          -1.769781D-01
                  1.105202D+00           1.443061D+00
                  4.878480D-01          -1.029318D+00
                  8.959900D-02          -1.307667D+00
                  3.342300D-02           1.503842D+00
            S    1   1.00
                  3.342300D-02           1.000000D+00
            S    1   1.00
                  1.247000D-02           1.000000D+00
            P    16   1.00
                  1.445420D+04           4.400000D-05
                  3.421676D+03           3.890000D-04
                  1.111387D+03           2.241000D-03
                  4.251918D+02           9.821000D-03
                  1.802623D+02           3.447100D-02
                  8.206117D+01           9.746000D-02
                  3.929726D+01           2.119850D-01
                  1.941959D+01           3.339900D-01
                  9.828899D+00           3.301370D-01
                  5.016810D+00           1.522270D-01
                  2.487091D+00           2.042500D-02
                  1.198780D+00          -1.360000D-03
                  5.586950D-01          -1.195000D-03
                  2.089240D-01          -1.970000D-04
                  8.460800D-02           2.300000D-05
                  3.325800D-02          -9.000000D-06
            P    16   1.00
                  1.445420D+04          -1.500000D-05
                  3.421676D+03          -1.350000D-04
                  1.111387D+03          -7.770000D-04
                  4.251918D+02          -3.427000D-03
                  1.802623D+02          -1.218900D-02
                  8.206117D+01          -3.538800D-02
                  3.929726D+01          -7.991500D-02
                  1.941959D+01          -1.323350D-01
                  9.828899D+00          -1.354010D-01
                  5.016810D+00           3.200800D-02
                  2.487091D+00           3.338490D-01
                  1.198780D+00           4.617730D-01
                  5.586950D-01           2.812900D-01
                  2.089240D-01           4.184300D-02
                  8.460800D-02          -4.002000D-03
                  3.325800D-02           1.521000D-03
            P    16   1.00
                  1.445420D+04           4.000000D-06
                  3.421676D+03           3.200000D-05
                  1.111387D+03           1.850000D-04
                  4.251918D+02           8.100000D-04
                  1.802623D+02           2.906000D-03
                  8.206117D+01           8.391000D-03
                  3.929726D+01           1.919300D-02
                  1.941959D+01           3.156400D-02
                  9.828899D+00           3.341700D-02
                  5.016810D+00          -1.290700D-02
                  2.487091D+00          -9.365900D-02
                  1.198780D+00          -1.499770D-01
                  5.586950D-01          -6.723400D-02
                  2.089240D-01           2.707590D-01
                  8.460800D-02           5.758070D-01
                  3.325800D-02           3.011210D-01
            P    16   1.00
                  1.445420D+04           4.000000D-06
                  3.421676D+03           4.000000D-05
                  1.111387D+03           2.290000D-04
                  4.251918D+02           1.019000D-03
                  1.802623D+02           3.602000D-03
                  8.206117D+01           1.055000D-02
                  3.929726D+01           2.370200D-02
                  1.941959D+01           3.998800D-02
                  9.828899D+00           4.043700D-02
                  5.016810D+00          -1.207400D-02
                  2.487091D+00          -1.189390D-01
                  1.198780D+00          -1.781000D-01
                  5.586950D-01          -1.238650D-01
                  2.089240D-01           4.297220D-01
                  8.460800D-02           6.507860D-01
                  3.325800D-02           6.417100D-02
            P    1   1.00
                  3.325800D-02           1.000000D+00
            P    1   1.00
                  1.307000D-02           1.000000D+00
            D    8   1.00
                  8.857680D+01           3.621000D-03
                  2.620450D+01           2.576600D-02
                  9.517470D+00           9.755600D-02
                  3.822480D+00           2.363120D-01
                  1.575120D+00           3.582860D-01
                  6.289280D-01           3.685430D-01
                  2.344240D-01           2.354940D-01
                  7.681500D-02           5.315600D-02
            D    8   1.00
                  8.857680D+01          -4.122000D-03
                  2.620450D+01          -2.930700D-02
                  9.517470D+00          -1.150620D-01
                  3.822480D+00          -2.730680D-01
                  1.575120D+00          -3.144230D-01
                  6.289280D-01           4.209700D-02
                  2.344240D-01           5.914030D-01
                  7.681500D-02           3.582150D-01
            D    1   1.00
                  7.681500D-02           1.000000D+00
            D    1   1.00
                  2.517000D-02           1.000000D+00
            F    2   1.00
                  2.221100D+00           4.235450D-01
                  5.231000D-01           7.741140D-01
            F    1   1.00
                  1.763600D-01           1.000000D+00
            ****
            -Mn     0
            S    20   1.00
                  3.960805D+06           8.242127D-06
                  5.931155D+05           6.408587D-05
                  1.349768D+05           3.369253D-04
                  3.823067D+04           1.420648D-03
                  1.247154D+04           5.143683D-03
                  4.501743D+03           1.648569D-02
                  1.755212D+03           4.698560D-02
                  7.273039D+02           1.162437D-01
                  3.163678D+02           2.335277D-01
                  1.430098D+02           3.292837D-01
                  6.621805D+01           2.440304D-01
                  2.991896D+01           7.219806D-02
                  1.430318D+01           7.687806D-02
                  6.839451D+00           7.852235D-02
                  3.012374D+00           1.294109D-02
                  1.418808D+00          -3.784873D-04
                  6.236240D-01          -2.503203D-05
                  1.340980D-01          -2.421517D-05
                  6.554800D-02           3.462071D-05
                  2.958400D-02           4.261482D-07
            S    20   1.00
                  3.960805D+06          -3.936095D-06
                  5.931155D+05          -3.060481D-05
                  1.349768D+05          -1.609626D-04
                  3.823067D+04          -6.792348D-04
                  1.247154D+04          -2.466182D-03
                  4.501743D+03          -7.957629D-03
                  1.755212D+03          -2.307248D-02
                  7.273039D+02          -5.932956D-02
                  3.163678D+02          -1.299451D-01
                  1.430098D+02          -2.212352D-01
                  6.621805D+01          -2.292550D-01
                  2.991896D+01           3.580733D-02
                  1.430318D+01           5.107602D-01
                  6.839451D+00           5.008307D-01
                  3.012374D+00           9.011830D-02
                  1.418808D+00          -6.909909D-03
                  6.236240D-01          -1.912925D-04
                  1.340980D-01          -6.032312D-04
                  6.554800D-02           5.621608D-04
                  2.958400D-02          -1.021109D-04
            S    20   1.00
                  3.960805D+06           9.462709D-07
                  5.931155D+05           7.360584D-06
                  1.349768D+05           3.869935D-05
                  3.823067D+04           1.635110D-04
                  1.247154D+04           5.941775D-04
                  4.501743D+03           1.927737D-03
                  1.755212D+03           5.641731D-03
                  7.273039D+02           1.487848D-02
                  3.163678D+02           3.414783D-02
                  1.430098D+02           6.405794D-02
                  6.621805D+01           7.557659D-02
                  2.991896D+01          -1.946070D-02
                  1.430318D+01          -2.957874D-01
                  6.839451D+00          -4.521170D-01
                  3.012374D+00           1.224531D-01
                  1.418808D+00           7.169756D-01
                  6.236240D-01           4.092712D-01
                  1.340980D-01           2.221969D-02
                  6.554800D-02          -9.011202D-03
                  2.958400D-02           3.691727D-03
            S    20   1.00
                  3.960805D+06          -2.095391D-07
                  5.931155D+05          -1.629439D-06
                  1.349768D+05          -8.570592D-06
                  3.823067D+04          -3.619272D-05
                  1.247154D+04          -1.316146D-04
                  4.501743D+03          -4.266810D-04
                  1.755212D+03          -1.250270D-03
                  7.273039D+02          -3.294665D-03
                  3.163678D+02          -7.581860D-03
                  1.430098D+02          -1.422864D-02
                  6.621805D+01          -1.693796D-02
                  2.991896D+01           4.454298D-03
                  1.430318D+01           6.867042D-02
                  6.839451D+00           1.113335D-01
                  3.012374D+00          -3.900820D-02
                  1.418808D+00          -2.215755D-01
                  6.236240D-01          -2.544359D-01
                  1.340980D-01           2.865866D-01
                  6.554800D-02           5.755741D-01
                  2.958400D-02           2.898778D-01
            S    20   1.00
                  3.960805D+06          -4.121231D-07
                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
                  3.823067D+04          -7.369999D-05
                  1.247154D+04          -2.529495D-04
                  4.501743D+03          -8.801425D-04
                  1.755212D+03          -2.365482D-03
                  7.273039D+02          -6.926354D-03
                  3.163678D+02          -1.393851D-02
                  1.430098D+02          -3.143840D-02
                  6.621805D+01          -2.625749D-02
                  2.991896D+01          -1.048313D-02
                  1.430318D+01           1.856472D-01
                  6.839451D+00           1.524839D-01
                  3.012374D+00           7.411368D-02
                  1.418808D+00          -1.018097D+00
                  6.236240D-01           2.980372D-01
                  1.340980D-01           1.971989D+00
                  6.554800D-02          -1.179253D+00
                  2.958400D-02          -5.837703D-01
            S    1   1.00
                  2.958400D-02           1.000000D+00
            S    1   1.00
                  1.335000D-02           1.000000D+00
            P    16   1.00
                  1.620586D+04           4.200000D-05
                  3.836274D+03           3.730000D-04
                  1.246048D+03           2.149000D-03
                  4.767535D+02           9.445000D-03
                  2.021895D+02           3.329700D-02
                  9.209487D+01           9.475900D-02
                  4.414720D+01           2.081440D-01
                  2.185468D+01           3.318050D-01
                  1.108596D+01           3.331750D-01
                  5.674108D+00           1.576010D-01
                  2.823170D+00           2.144500D-02
                  1.368621D+00          -2.558000D-03
                  6.444310D-01          -2.027000D-03
                  2.483820D-01          -3.600000D-04
                  9.725500D-02           3.400000D-05
                  3.663300D-02          -1.300000D-05
            P    16   1.00
                  1.620586D+04          -1.500000D-05
                  3.836274D+03          -1.290000D-04
                  1.246048D+03          -7.480000D-04
                  4.767535D+02          -3.308000D-03
                  2.021895D+02          -1.181100D-02
                  9.209487D+01          -3.453300D-02
                  4.414720D+01          -7.878500D-02
                  2.185468D+01          -1.321830D-01
                  1.108596D+01          -1.371950D-01
                  5.674108D+00           2.707500D-02
                  2.823170D+00           3.288910D-01
                  1.368621D+00           4.572800D-01
                  6.444310D-01           2.889080D-01
                  2.483820D-01           4.743300D-02
                  9.725500D-02          -3.522000D-03
                  3.663300D-02           1.456000D-03
            P    16   1.00
                  1.620586D+04           3.000000D-06
                  3.836274D+03           3.000000D-05
                  1.246048D+03           1.720000D-04
                  4.767535D+02           7.620000D-04
                  2.021895D+02           2.726000D-03
                  9.209487D+01           7.976000D-03
                  4.414720D+01           1.828700D-02
                  2.185468D+01           3.077600D-02
                  1.108596D+01           3.237300D-02
                  5.674108D+00          -9.978000D-03
                  2.823170D+00          -9.052900D-02
                  1.368621D+00          -1.380040D-01
                  6.444310D-01          -7.796500D-02
                  2.483820D-01           2.295600D-01
                  9.725500D-02           5.761220D-01
                  3.663300D-02           3.485380D-01
            P    16   1.00
                  1.620586D+04           4.000000D-06
                  3.836274D+03           4.000000D-05
                  1.246048D+03           2.260000D-04
                  4.767535D+02           1.013000D-03
                  2.021895D+02           3.575000D-03
                  9.209487D+01           1.061200D-02
                  4.414720D+01           2.390200D-02
                  2.185468D+01           4.127900D-02
                  1.108596D+01           4.147500D-02
                  5.674108D+00          -9.458000D-03
                  2.823170D+00          -1.236950D-01
                  1.368621D+00          -1.743920D-01
                  6.444310D-01          -1.291700D-01
                  2.483820D-01           4.003480D-01
                  9.725500D-02           6.696460D-01
                  3.663300D-02           8.273200D-02
            P    1   1.00
                  3.663300D-02           1.000000D+00
            P    1   1.00
                  1.380000D-02           1.000000D+00
            D    8   1.00
                  1.006630D+02           3.579000D-03
                  2.983360D+01           2.582700D-02
                  1.088940D+01           9.855900D-02
                  4.393580D+00           2.383270D-01
                  1.817820D+00           3.587070D-01
                  7.278270D-01           3.650920D-01
                  2.712950D-01           2.337380D-01
                  8.830900D-02           5.661800D-02
            D    8   1.00
                  1.006630D+02          -3.454000D-03
                  2.983360D+01          -2.492500D-02
                  1.088940D+01          -9.763500D-02
                  4.393580D+00          -2.366920D-01
                  1.817820D+00          -2.923500D-01
                  7.278270D-01          -4.973000D-03
                  2.712950D-01           5.065880D-01
                  8.830900D-02           4.979510D-01
            D    1   1.00
                  8.830900D-02           1.000000D+00
            D    1   1.00
                  2.875000D-02           1.000000D+00
            F    2   1.00
                  2.703200D+00           4.267760D-01
                  6.438000D-01           7.697990D-01
            F    1   1.00
                  2.226000D-01           1.000000D+00
            ****
            -Fe     0
            S    20   1.00
                  4.316265D+06           8.048803D-06
                  6.463424D+05           6.258306D-05
                  1.470897D+05           3.290239D-04
                  4.166152D+04           1.387355D-03
                  1.359077D+04           5.023256D-03
                  4.905750D+03           1.610140D-02
                  1.912746D+03           4.590034D-02
                  7.926043D+02           1.136154D-01
                  3.448065D+02           2.283869D-01
                  1.558999D+02           3.221159D-01
                  7.223091D+01           2.383661D-01
                  3.272506D+01           7.404667D-02
                  1.566762D+01           9.214197D-02
                  7.503483D+00           9.339790D-02
                  3.312223D+00           1.573965D-02
                  1.558471D+00          -4.186682D-04
                  6.839140D-01           5.376318D-05
                  1.467570D-01          -3.816654D-05
                  7.058300D-02           4.319603D-05
                  3.144900D-02          -3.401019D-06
            S    20   1.00
                  4.316265D+06          -4.155954D-06
                  6.463424D+05          -3.231401D-05
                  1.470897D+05          -1.699525D-04
                  4.166152D+04          -7.171369D-04
                  1.359077D+04          -2.603625D-03
                  4.905750D+03          -8.399109D-03
                  1.912746D+03          -2.434109D-02
                  7.926043D+02          -6.251948D-02
                  3.448065D+02          -1.365929D-01
                  1.558999D+02          -2.312707D-01
                  7.223091D+01          -2.383734D-01
                  3.272506D+01           3.123837D-02
                  1.566762D+01           5.086818D-01
                  7.503483D+00           4.987695D-01
                  3.312223D+00           9.033552D-02
                  1.558471D+00          -6.005337D-03
                  6.839140D-01           2.312454D-04
                  1.467570D-01          -5.643680D-04
                  7.058300D-02           4.992260D-04
                  3.144900D-02          -1.015293D-04
            S    20   1.00
                  4.316265D+06           9.532178D-07
                  6.463424D+05           7.414605D-06
                  1.470897D+05           3.898393D-05
                  4.166152D+04           1.647152D-04
                  1.359077D+04           5.985980D-04
                  4.905750D+03           1.942390D-03
                  1.912746D+03           5.687237D-03
                  7.926043D+02           1.501329D-02
                  3.448065D+02           3.452455D-02
                  1.558999D+02           6.495820D-02
                  7.223091D+01           7.716194D-02
                  3.272506D+01          -1.873411D-02
                  1.566762D+01          -3.009185D-01
                  7.503483D+00          -4.554661D-01
                  3.312223D+00           1.286463D-01
                  1.558471D+00           7.183316D-01
                  6.839140D-01           4.051743D-01
                  1.467570D-01           2.168227D-02
                  7.058300D-02          -8.343566D-03
                  3.144900D-02           3.658979D-03
            S    20   1.00
                  4.316265D+06          -2.063008D-07
                  6.463424D+05          -1.604169D-06
                  1.470897D+05          -8.438437D-06
                  4.166152D+04          -3.563151D-05
                  1.359077D+04          -1.295998D-04
                  4.905750D+03          -4.201534D-04
                  1.912746D+03          -1.231954D-03
                  7.926043D+02          -3.248922D-03
                  3.448065D+02          -7.493717D-03
                  1.558999D+02          -1.410102D-02
                  7.223091D+01          -1.691600D-02
                  3.272506D+01           4.218996D-03
                  1.566762D+01           6.833810D-02
                  7.503483D+00           1.098201D-01
                  3.312223D+00          -4.009005D-02
                  1.558471D+00          -2.174739D-01
                  6.839140D-01          -2.465135D-01
                  1.467570D-01           2.731435D-01
                  7.058300D-02           5.748321D-01
                  3.144900D-02           3.012713D-01
            S    20   1.00
                  4.316265D+06          -4.009367D-07
                  6.463424D+05          -3.189255D-06
                  1.470897D+05          -1.623079D-05
                  4.166152D+04          -7.157920D-05
                  1.359077D+04          -2.463958D-04
                  4.905750D+03          -8.544907D-04
                  1.912746D+03          -2.307593D-03
                  7.926043D+02          -6.728292D-03
                  3.448065D+02          -1.366165D-02
                  1.558999D+02          -3.062240D-02
                  7.223091D+01          -2.631137D-02
                  3.272506D+01          -9.760183D-03
                  1.566762D+01           1.801906D-01
                  7.503483D+00           1.529634D-01
                  3.312223D+00           5.505413D-02
                  1.558471D+00          -9.551364D-01
                  6.839140D-01           2.586813D-01
                  1.467570D-01           1.834049D+00
                  7.058300D-02          -9.333240D-01
                  3.144900D-02          -6.981605D-01
            S    1   1.00
                  3.144900D-02           1.000000D+00
            S    1   1.00
                  1.401000D-02           1.000000D+00
            P    16   1.00
                  1.774569D+04           4.100000D-05
                  4.200721D+03           3.690000D-04
                  1.364429D+03           2.129000D-03
                  5.220806D+02           9.369000D-03
                  2.214595D+02           3.309700D-02
                  1.009096D+02           9.443100D-02
                  4.840115D+01           2.080770D-01
                  2.398536D+01           3.323330D-01
                  1.218250D+01           3.329870D-01
                  6.242298D+00           1.568430D-01
                  3.110944D+00           2.154900D-02
                  1.509958D+00          -2.095000D-03
                  7.108450D-01          -1.739000D-03
                  2.731900D-01          -3.000000D-04
                  1.042330D-01           2.900000D-05
                  3.829100D-02          -1.100000D-05
            P    16   1.00
                  1.774569D+04          -1.500000D-05
                  4.200721D+03          -1.300000D-04
                  1.364429D+03          -7.510000D-04
                  5.220806D+02          -3.329000D-03
                  2.214595D+02          -1.191200D-02
                  1.009096D+02          -3.493300D-02
                  4.840115D+01          -7.998900D-02
                  2.398536D+01          -1.346360D-01
                  1.218250D+01          -1.385980D-01
                  6.242298D+00           3.027800D-02
                  3.110944D+00           3.332160D-01
                  1.509958D+00           4.561530D-01
                  7.108450D-01           2.850510D-01
                  2.731900D-01           4.614400D-02
                  1.042330D-01          -3.249000D-03
                  3.829100D-02           1.357000D-03
            P    16   1.00
                  1.774569D+04           3.000000D-06
                  4.200721D+03           2.900000D-05
                  1.364429D+03           1.650000D-04
                  5.220806D+02           7.340000D-04
                  2.214595D+02           2.626000D-03
                  1.009096D+02           7.725000D-03
                  4.840115D+01           1.773300D-02
                  2.398536D+01           3.005500D-02
                  1.218250D+01           3.109400D-02
                  6.242298D+00          -1.004800D-02
                  3.110944D+00          -8.830600D-02
                  1.509958D+00          -1.298240D-01
                  7.108450D-01          -7.693700D-02
                  2.731900D-01           2.126610D-01
                  1.042330D-01           5.730610D-01
                  3.829100D-02           3.696510D-01
            P    16   1.00
                  1.774569D+04           5.000000D-06
                  4.200721D+03           4.200000D-05
                  1.364429D+03           2.410000D-04
                  5.220806D+02           1.085000D-03
                  2.214595D+02           3.831000D-03
                  1.009096D+02           1.142300D-02
                  4.840115D+01           2.579200D-02
                  2.398536D+01           4.481800D-02
                  1.218250D+01           4.459800D-02
                  6.242298D+00          -1.117700D-02
                  3.110944D+00          -1.381340D-01
                  1.509958D+00          -1.882850D-01
                  7.108450D-01          -1.073990D-01
                  2.731900D-01           4.448630D-01
                  1.042330D-01           6.402390D-01
                  3.829100D-02           6.445700D-02
            P    1   1.00
                  3.829100D-02           1.000000D+00
            P    1   1.00
                  1.407000D-02           1.000000D+00
            D    8   1.00
                  1.133440D+02           3.530000D-03
                  3.364140D+01           2.578400D-02
                  1.233100D+01           9.911900D-02
                  4.994780D+00           2.390730D-01
                  2.072800D+00           3.571990D-01
                  8.307530D-01           3.621880D-01
                  3.091780D-01           2.364610D-01
                  1.001300D-01           6.011800D-02
            D    8   1.00
                  1.133440D+02          -3.890000D-03
                  3.364140D+01          -2.844200D-02
                  1.233100D+01          -1.124290D-01
                  4.994780D+00          -2.742570D-01
                  2.072800D+00          -3.155460D-01
                  8.307530D-01           5.710900D-02
                  3.091780D-01           5.636040D-01
                  1.001300D-01           3.846370D-01
            D    1   1.00
                  1.001300D-01           1.000000D+00
            D    1   1.00
                  3.243000D-02           1.000000D+00
            F    2   1.00
                  3.224300D+00           4.222490D-01
                  7.758000D-01           7.714680D-01
            F    1   1.00
                  2.749000D-01           1.000000D+00
            ****
            -Co     0
            S    20   1.00
                  4.675675D+06           7.979026D-06
                  7.001615D+05           6.204071D-05
                  1.593373D+05           3.261735D-04
                  4.513046D+04           1.375360D-03
                  1.472238D+04           4.979997D-03
                  5.314222D+03           1.596434D-02
                  2.072018D+03           4.552086D-02
                  8.586188D+02           1.127385D-01
                  3.735497D+02           2.268262D-01
                  1.689229D+02           3.203074D-01
                  7.829639D+01           2.374021D-01
                  3.552123D+01           7.477686D-02
                  1.704144D+01           9.581872D-02
                  8.173000D+00           9.649911D-02
                  3.610318D+00           1.623362D-02
                  1.697047D+00          -4.535497D-04
                  7.435320D-01           5.113519D-05
                  1.583440D-01          -4.174508D-05
                  7.503600D-02           4.027577D-05
                  3.309100D-02          -5.789067D-06
            S    20   1.00
                  4.675675D+06          -4.200240D-06
                  7.001615D+05          -3.265831D-05
                  1.593373D+05          -1.717644D-04
                  4.513046D+04          -7.247853D-04
                  1.472238D+04          -2.631462D-03
                  5.314222D+03          -8.489272D-03
                  2.072018D+03          -2.460619D-02
                  8.586188D+02          -6.322059D-02
                  3.735497D+02          -1.381957D-01
                  1.689229D+02          -2.340680D-01
                  7.829639D+01          -2.415002D-01
                  3.552123D+01           3.035312D-02
                  1.704144D+01           5.101341D-01
                  8.173000D+00           4.974939D-01
                  3.610318D+00           8.970746D-02
                  1.697047D+00          -5.941034D-03
                  7.435320D-01           2.175362D-04
                  1.583440D-01          -5.480155D-04
                  7.503600D-02           4.525804D-04
                  3.309100D-02          -1.066748D-04
            S    20   1.00
                  4.675675D+06           9.592692D-07
                  7.001615D+05           7.461851D-06
                  1.593373D+05           3.923137D-05
                  4.513046D+04           1.657706D-04
                  1.472238D+04           6.024335D-04
                  5.314222D+03           1.955217D-03
                  2.072018D+03           5.726326D-03
                  8.586188D+02           1.512984D-02
                  3.735497D+02           3.483973D-02
                  1.689229D+02           6.570351D-02
                  7.829639D+01           7.831503D-02
                  3.552123D+01          -1.877037D-02
                  1.704144D+01          -3.062663D-01
                  8.173000D+00          -4.566429D-01
                  3.610318D+00           1.378169D-01
                  1.697047D+00           7.193676D-01
                  7.435320D-01           3.992579D-01
                  1.583440D-01           2.079933D-02
                  7.503600D-02          -7.820663D-03
                  3.309100D-02           3.533911D-03
            S    20   1.00
                  4.675675D+06          -2.028840D-07
                  7.001615D+05          -1.577580D-06
                  1.593373D+05          -8.298813D-06
                  4.513046D+04          -3.504154D-05
                  1.472238D+04          -1.274655D-04
                  5.314222D+03          -4.132695D-04
                  2.072018D+03          -1.212261D-03
                  8.586188D+02          -3.199318D-03
                  3.735497D+02          -7.390972D-03
                  1.689229D+02          -1.393649D-02
                  7.829639D+01          -1.678575D-02
                  3.552123D+01           4.149856D-03
                  1.704144D+01           6.797646D-02
                  8.173000D+00           1.075807D-01
                  3.610318D+00          -4.166022D-02
                  1.697047D+00          -2.128044D-01
                  7.435320D-01          -2.381360D-01
                  1.583440D-01           2.650788D-01
                  7.503600D-02           5.722774D-01
                  3.309100D-02           3.091556D-01
            S    20   1.00
                  4.675675D+06          -3.863053D-07
                  7.001615D+05          -3.068788D-06
                  1.593373D+05          -1.564826D-05
                  4.513046D+04          -6.883588D-05
                  1.472238D+04          -2.377367D-04
                  5.314222D+03          -8.213173D-04
                  2.072018D+03          -2.229630D-03
                  8.586188D+02          -6.467841D-03
                  3.735497D+02          -1.325463D-02
                  1.689229D+02          -2.946686D-02
                  7.829639D+01          -2.599066D-02
                  3.552123D+01          -8.499807D-03
                  1.704144D+01           1.727316D-01
                  8.173000D+00           1.512189D-01
                  3.610318D+00           3.554509D-02
                  1.697047D+00          -8.829353D-01
                  7.435320D-01           2.143530D-01
                  1.583440D-01           1.711865D+00
                  7.503600D-02          -7.140037D-01
                  3.309100D-02          -8.027727D-01
            S    1   1.00
                  3.309100D-02           1.000000D+00
            S    1   1.00
                  1.459000D-02           1.000000D+00
            P    16   1.00
                  1.926778D+04           4.100000D-05
                  4.560986D+03           3.690000D-04
                  1.481436D+03           2.128000D-03
                  5.668671D+02           9.372000D-03
                  2.404910D+02           3.315500D-02
                  1.096105D+02           9.475200D-02
                  5.259491D+01           2.090930D-01
                  2.608361D+01           3.337220D-01
                  1.326143D+01           3.322080D-01
                  6.799778D+00           1.546130D-01
                  3.393414D+00           2.090200D-02
                  1.648766D+00          -2.024000D-03
                  7.762820D-01          -1.697000D-03
                  2.980030D-01          -2.800000D-04
                  1.136180D-01           2.600000D-05
                  4.162400D-02          -1.000000D-05
            P    16   1.00
                  1.926778D+04          -1.500000D-05
                  4.560986D+03          -1.310000D-04
                  1.481436D+03          -7.580000D-04
                  5.668671D+02          -3.363000D-03
                  2.404910D+02          -1.205400D-02
                  1.096105D+02          -3.542400D-02
                  5.259491D+01          -8.128700D-02
                  2.608361D+01          -1.369080D-01
                  1.326143D+01          -1.390190D-01
                  6.799778D+00           3.546800D-02
                  3.393414D+00           3.384980D-01
                  1.648766D+00           4.544330D-01
                  7.762820D-01           2.797930D-01
                  2.980030D-01           4.477600D-02
                  1.136180D-01          -3.151000D-03
                  4.162400D-02           1.317000D-03
            P    16   1.00
                  1.926778D+04          -3.000000D-06
                  4.560986D+03          -2.900000D-05
                  1.481436D+03          -1.670000D-04
                  5.668671D+02          -7.420000D-04
                  2.404910D+02          -2.662000D-03
                  1.096105D+02          -7.841000D-03
                  5.259491D+01          -1.805100D-02
                  2.608361D+01          -3.058000D-02
                  1.326143D+01          -3.131200D-02
                  6.799778D+00           1.131100D-02
                  3.393414D+00           8.999000D-02
                  1.648766D+00           1.307330D-01
                  7.762820D-01           7.180800D-02
                  2.980030D-01          -2.216580D-01
                  1.136180D-01          -5.710250D-01
                  4.162400D-02          -3.637890D-01
            P    16   1.00
                  1.926778D+04           5.000000D-06
                  4.560986D+03           4.500000D-05
                  1.481436D+03           2.550000D-04
                  5.668671D+02           1.144000D-03
                  2.404910D+02           4.061000D-03
                  1.096105D+02           1.209500D-02
                  5.259491D+01           2.747600D-02
                  2.608361D+01           4.755700D-02
                  1.326143D+01           4.730200D-02
                  6.799778D+00          -1.441800D-02
                  3.393414D+00          -1.500620D-01
                  1.648766D+00          -1.990920D-01
                  7.762820D-01          -7.978300D-02
                  2.980030D-01           4.590350D-01
                  1.136180D-01           6.174950D-01
                  4.162400D-02           6.469000D-02
            P    1   1.00
                  4.162400D-02           1.000000D+00
            P    1   1.00
                  1.525000D-02           1.000000D+00
            D    8   1.00
                  1.262640D+02           3.510000D-03
                  3.752260D+01           2.588400D-02
                  1.380210D+01           1.000580D-01
                  5.609270D+00           2.405470D-01
                  2.333690D+00           3.568430D-01
                  9.364150D-01           3.595790D-01
                  3.482370D-01           2.366290D-01
                  1.123530D-01           6.212900D-02
            D    8   1.00
                  1.262640D+02          -4.067000D-03
                  3.752260D+01          -3.005300D-02
                  1.380210D+01          -1.196200D-01
                  5.609270D+00          -2.915130D-01
                  2.333690D+00          -3.180480D-01
                  9.364150D-01           9.169800D-02
                  3.482370D-01           5.608230D-01
                  1.123530D-01           3.586780D-01
            D    1   1.00
                  1.123530D-01           1.000000D+00
            D    1   1.00
                  3.625000D-02           1.000000D+00
            F    2   1.00
                  3.772400D+00           4.239660D-01
                  9.170000D-01           7.684290D-01
            F    1   1.00
                  3.271500D-01           1.000000D+00
            ****
            -Ni     0
            S    20   1.00
                  5.045991D+06           8.208996D-06
                  7.556142D+05           6.382884D-05
                  1.719568D+05           3.355800D-04
                  4.870479D+04           1.415075D-03
                  1.588841D+04           5.124444D-03
                  5.735123D+03           1.643256D-02
                  2.236137D+03           4.689398D-02
                  9.266468D+02           1.163534D-01
                  4.031743D+02           2.350511D-01
                  1.823476D+02           3.350184D-01
                  8.454885D+01           2.534779D-01
                  3.839634D+01           7.300901D-02
                  1.845859D+01           6.184244D-02
                  8.863548D+00           6.302956D-02
                  3.916227D+00           1.008063D-02
                  1.838870D+00          -2.244528D-04
                  8.043620D-01          -5.932767D-05
                  1.697970D-01          -1.158562D-05
                  7.930600D-02           8.115109D-06
                  3.467700D-02          -1.681699D-06
            S    20   1.00
                  5.045991D+06          -3.657849D-06
                  7.556142D+05          -2.844094D-05
                  1.719568D+05          -1.495928D-04
                  4.870479D+04          -6.313009D-04
                  1.588841D+04          -2.293052D-03
                  5.735123D+03          -7.405123D-03
                  2.236137D+03          -2.152032D-02
                  9.266468D+02          -5.560974D-02
                  4.031743D+02          -1.230176D-01
                  1.823476D+02          -2.130104D-01
                  8.454885D+01          -2.265837D-01
                  3.839634D+01           3.546796D-02
                  1.845859D+01           5.181697D-01
                  8.863548D+00           5.025630D-01
                  3.916227D+00           8.955674D-02
                  1.838870D+00          -7.031311D-03
                  8.043620D-01          -4.339167D-04
                  1.697970D-01          -5.831711D-04
                  7.930600D-02           4.228788D-04
                  3.467700D-02          -1.266714D-04
            S    20   1.00
                  5.045991D+06           9.594149D-07
                  7.556142D+05           7.462614D-06
                  1.719568D+05           3.923843D-05
                  4.870479D+04           1.657868D-04
                  1.588841D+04           6.025905D-04
                  5.735123D+03           1.955662D-03
                  2.236137D+03           5.730391D-03
                  9.266468D+02           1.514756D-02
                  4.031743D+02           3.493499D-02
                  1.823476D+02           6.598072D-02
                  8.454885D+01           7.893083D-02
                  3.839634D+01          -1.906249D-02
                  1.845859D+01          -3.095921D-01
                  8.863548D+00          -4.558610D-01
                  3.916227D+00           1.482931D-01
                  1.838870D+00           7.134039D-01
                  8.043620D-01           3.976063D-01
                  1.697970D-01           2.295523D-02
                  7.930600D-02          -9.151758D-03
                  3.467700D-02           3.875414D-03
            S    20   1.00
                  5.045991D+06          -2.013753D-07
                  7.556142D+05          -1.565832D-06
                  1.719568D+05          -8.237182D-06
                  4.870479D+04          -3.478105D-05
                  1.588841D+04          -1.265265D-04
                  5.735123D+03          -4.102589D-04
                  2.236137D+03          -1.203834D-03
                  9.266468D+02          -3.179062D-03
                  4.031743D+02          -7.353828D-03
                  1.823476D+02          -1.389022D-02
                  8.454885D+01          -1.677875D-02
                  3.839634D+01           4.163378D-03
                  1.845859D+01           6.814703D-02
                  8.863548D+00           1.061029D-01
                  3.916227D+00          -4.339980D-02
                  1.838870D+00          -2.094950D-01
                  8.043620D-01          -2.310271D-01
                  1.697970D-01           2.590532D-01
                  7.930600D-02           5.691426D-01
                  3.467700D-02           3.158125D-01
            S    20   1.00
                  5.045991D+06          -3.924245D-07
                  7.556142D+05          -3.113909D-06
                  1.719568D+05          -1.590447D-05
                  4.870479D+04          -6.981394D-05
                  1.588841D+04          -2.417848D-04
                  5.735123D+03          -8.326195D-04
                  2.236137D+03          -2.270294D-03
                  9.266468D+02          -6.557427D-03
                  4.031743D+02          -1.354288D-02
                  1.823476D+02          -2.989768D-02
                  8.454885D+01          -2.693106D-02
                  3.839634D+01          -7.827693D-03
                  1.845859D+01           1.741667D-01
                  8.863548D+00           1.595468D-01
                  3.916227D+00           1.995550D-02
                  1.838870D+00          -8.897000D-01
                  8.043620D-01           2.486892D-01
                  1.697970D-01           1.613012D+00
                  7.930600D-02          -5.990277D-01
                  3.467700D-02          -8.369078D-01
            S    1   1.00
                  3.467700D-02           1.000000D+00
            S    1   1.00
                  1.516000D-02           1.000000D+00
            P    16   1.00
                  2.102792D+04           4.100000D-05
                  4.977560D+03           3.630000D-04
                  1.616740D+03           2.097000D-03
                  6.186718D+02           9.250000D-03
                  2.625183D+02           3.279600D-02
                  1.196907D+02           9.400400D-02
                  5.746585D+01           2.082800D-01
                  2.852829D+01           3.336540D-01
                  1.452148D+01           3.329040D-01
                  7.453850D+00           1.553720D-01
                  3.723553D+00           2.085900D-02
                  1.809813D+00          -2.440000D-03
                  8.513360D-01          -1.998000D-03
                  3.248140D-01          -3.380000D-04
                  1.195220D-01           3.500000D-05
                  4.236600D-02          -1.200000D-05
            P    16   1.00
                  2.102792D+04          -1.500000D-05
                  4.977560D+03          -1.290000D-04
                  1.616740D+03          -7.490000D-04
                  6.186718D+02          -3.328000D-03
                  2.625183D+02          -1.194700D-02
                  1.196907D+02          -3.524200D-02
                  5.746585D+01          -8.120400D-02
                  2.852829D+01          -1.374930D-01
                  1.452148D+01          -1.392260D-01
                  7.453850D+00           3.601600D-02
                  3.723553D+00           3.391280D-01
                  1.809813D+00           4.504720D-01
                  8.513360D-01           2.817830D-01
                  3.248140D-01           4.789800D-02
                  1.195220D-01          -2.987000D-03
                  4.236600D-02           1.309000D-03
            P    16   1.00
                  2.102792D+04           3.000000D-06
                  4.977560D+03           2.600000D-05
                  1.616740D+03           1.520000D-04
                  6.186718D+02           6.780000D-04
                  2.625183D+02           2.427000D-03
                  1.196907D+02           7.201000D-03
                  5.746585D+01           1.657800D-02
                  2.852829D+01           2.839200D-02
                  1.452148D+01           2.859900D-02
                  7.453850D+00          -1.013200D-02
                  3.723553D+00          -8.291200D-02
                  1.809813D+00          -1.159980D-01
                  8.513360D-01          -7.279500D-02
                  3.248140D-01           1.956400D-01
                  1.195220D-01           5.670990D-01
                  4.236600D-02           3.952700D-01
            P    16   1.00
                  2.102792D+04           6.000000D-06
                  4.977560D+03           5.300000D-05
                  1.616740D+03           3.050000D-04
                  6.186718D+02           1.364000D-03
                  2.625183D+02           4.876000D-03
                  1.196907D+02           1.450300D-02
                  5.746585D+01           3.329600D-02
                  2.852829D+01           5.748200D-02
                  1.452148D+01           5.870200D-02
                  7.453850D+00          -1.990400D-02
                  3.723553D+00          -1.946950D-01
                  1.809813D+00          -2.396130D-01
                  8.513360D-01          -2.232000D-03
                  3.248140D-01           5.214350D-01
                  1.195220D-01           5.455400D-01
                  4.236600D-02           4.362200D-02
            P    1   1.00
                  4.236600D-02           1.000000D+00
            P    1   1.00
                  1.502000D-02           1.000000D+00
            D    8   1.00
                  1.402527D+02           3.376000D-03
                  4.172610D+01           2.514100D-02
                  1.539810D+01           9.774600D-02
                  6.277100D+00           2.347090D-01
                  2.618500D+00           3.469450D-01
                  1.052600D+00           3.510680D-01
                  3.916000D-01           2.502550D-01
                  1.262000D-01           1.000820D-01
            D    8   1.00
                  1.402527D+02          -3.495000D-03
                  4.172610D+01          -2.601500D-02
                  1.539810D+01          -1.038760D-01
                  6.277100D+00          -2.520700D-01
                  2.618500D+00          -2.945800D-01
                  1.052600D+00           1.152000D-03
                  3.916000D-01           4.385890D-01
                  1.262000D-01           5.436260D-01
            D    1   1.00
                  1.262000D-01           1.000000D+00
            D    1   1.00
                  4.067000D-02           1.000000D+00
            F    2   1.00
                  4.345500D+00           4.174290D-01
                  1.068000D+00           7.714830D-01
            F    1   1.00
                  4.083000D-01           1.000000D+00
            ****
            -Cu     0
            S    20   1.00
                  5.430321D+06           7.801026D-06
                  8.131665D+05           6.065666D-05
                  1.850544D+05           3.188964D-04
                  5.241466D+04           1.344687D-03
                  1.709868D+04           4.869050D-03
                  6.171994D+03           1.561013D-02
                  2.406481D+03           4.452077D-02
                  9.972584D+02           1.103111D-01
                  4.339289D+02           2.220342D-01
                  1.962869D+02           3.133739D-01
                  9.104280D+01           2.315121D-01
                  4.138425D+01           7.640920D-02
                  1.993278D+01           1.103818D-01
                  9.581891D+00           1.094372D-01
                  4.234516D+00           1.836311D-02
                  1.985814D+00          -6.043084D-04
                  8.670830D-01           5.092245D-05
                  1.813390D-01          -5.540730D-05
                  8.365700D-02           3.969482D-05
                  3.626700D-02          -1.269538D-05
            S    20   1.00
                  5.430321D+06          -4.404706D-06
                  8.131665D+05          -3.424801D-05
                  1.850544D+05          -1.801238D-04
                  5.241466D+04          -7.600455D-04
                  1.709868D+04          -2.759348D-03
                  6.171994D+03          -8.900970D-03
                  2.406481D+03          -2.579378D-02
                  9.972584D+02          -6.623861D-02
                  4.339289D+02          -1.445927D-01
                  1.962869D+02          -2.440110D-01
                  9.104280D+01          -2.504837D-01
                  4.138425D+01           2.852577D-02
                  1.993278D+01           5.115874D-01
                  9.581891D+00           4.928061D-01
                  4.234516D+00           8.788437D-02
                  1.985814D+00          -5.820281D-03
                  8.670830D-01           2.013508D-04
                  1.813390D-01          -5.182553D-04
                  8.365700D-02           3.731503D-04
                  3.626700D-02          -1.193171D-04
            S    20   1.00
                  5.430321D+06           9.704682D-07
                  8.131665D+05           7.549245D-06
                  1.850544D+05           3.968892D-05
                  5.241466D+04           1.677200D-04
                  1.709868D+04           6.095101D-04
                  6.171994D+03           1.978846D-03
                  2.406481D+03           5.798049D-03
                  9.972584D+02           1.534158D-02
                  4.339289D+02           3.540484D-02
                  1.962869D+02           6.702098D-02
                  9.104280D+01           8.026945D-02
                  4.138425D+01          -1.927231D-02
                  1.993278D+01          -3.160129D-01
                  9.581891D+00          -4.573162D-01
                  4.234516D+00           1.550841D-01
                  1.985814D+00           7.202872D-01
                  8.670830D-01           3.885122D-01
                  1.813390D-01           1.924326D-02
                  8.365700D-02          -7.103807D-03
                  3.626700D-02           3.272906D-03
            S    20   1.00
                  5.430321D+06          -1.959354D-07
                  8.131665D+05          -1.523472D-06
                  1.850544D+05          -8.014808D-06
                  5.241466D+04          -3.383992D-05
                  1.709868D+04          -1.231191D-04
                  6.171994D+03          -3.992085D-04
                  2.406481D+03          -1.171900D-03
                  9.972584D+02          -3.096141D-03
                  4.339289D+02          -7.171993D-03
                  1.962869D+02          -1.356621D-02
                  9.104280D+01          -1.643989D-02
                  4.138425D+01           4.107628D-03
                  1.993278D+01           6.693964D-02
                  9.581891D+00           1.028221D-01
                  4.234516D+00          -4.422945D-02
                  1.985814D+00          -2.031191D-01
                  8.670830D-01          -2.230022D-01
                  1.813390D-01           2.517975D-01
                  8.365700D-02           5.650091D-01
                  3.626700D-02           3.247243D-01
            S    20   1.00
                  5.430321D+06          -3.532229D-07
                  8.131665D+05          -2.798812D-06
                  1.850544D+05          -1.432517D-05
                  5.241466D+04          -6.270946D-05
                  1.709868D+04          -2.179490D-04
                  6.171994D+03          -7.474316D-04
                  2.406481D+03          -2.049271D-03
                  9.972584D+02          -5.885203D-03
                  4.339289D+02          -1.226885D-02
                  1.962869D+02          -2.683147D-02
                  9.104280D+01          -2.479261D-02
                  4.138425D+01          -5.984746D-03
                  1.993278D+01           1.557124D-01
                  9.581891D+00           1.436683D-01
                  4.234516D+00           8.374103D-03
                  1.985814D+00          -7.460711D-01
                  8.670830D-01           1.244367D-01
                  1.813390D-01           1.510110D+00
                  8.365700D-02          -3.477122D-01
                  3.626700D-02          -9.774169D-01
            S    1   1.00
                  3.626700D-02           1.000000D+00
            S    1   1.00
                  1.572000D-02           1.000000D+00
            P    16   1.00
                  2.276057D+04           4.000000D-05
                  5.387679D+03           3.610000D-04
                  1.749945D+03           2.083000D-03
                  6.696653D+02           9.197000D-03
                  2.841948D+02           3.266000D-02
                  1.296077D+02           9.379500D-02
                  6.225415D+01           2.082740D-01
                  3.092964D+01           3.339930D-01
                  1.575827D+01           3.324930D-01
                  8.094211D+00           1.547280D-01
                  4.046921D+00           2.127100D-02
                  1.967869D+00          -1.690000D-03
                  9.252950D-01          -1.516000D-03
                  3.529920D-01          -2.420000D-04
                  1.273070D-01           2.300000D-05
                  4.435600D-02          -9.000000D-06
            P    16   1.00
                  2.276057D+04          -1.500000D-05
                  5.387679D+03          -1.310000D-04
                  1.749945D+03          -7.550000D-04
                  6.696653D+02          -3.359000D-03
                  2.841948D+02          -1.208100D-02
                  1.296077D+02          -3.570300D-02
                  6.225415D+01          -8.250200D-02
                  3.092964D+01          -1.398900D-01
                  1.575827D+01          -1.407290D-01
                  8.094211D+00           3.876600D-02
                  4.046921D+00           3.426950D-01
                  1.967869D+00           4.523100D-01
                  9.252950D-01           2.770540D-01
                  3.529920D-01           4.388500D-02
                  1.273070D-01          -2.802000D-03
                  4.435600D-02           1.152000D-03
            P    16   1.00
                  2.276057D+04           3.000000D-06
                  5.387679D+03           2.500000D-05
                  1.749945D+03           1.470000D-04
                  6.696653D+02           6.560000D-04
                  2.841948D+02           2.351000D-03
                  1.296077D+02           7.004000D-03
                  6.225415D+01           1.613100D-02
                  3.092964D+01           2.777000D-02
                  1.575827D+01           2.756700D-02
                  8.094211D+00          -1.011500D-02
                  4.046921D+00          -8.100900D-02
                  1.967869D+00          -1.104090D-01
                  9.252950D-01          -7.173200D-02
                  3.529920D-01           1.879300D-01
                  1.273070D-01           5.646290D-01
                  4.435600D-02           4.070000D-01
            P    16   1.00
                  2.276057D+04           5.000000D-06
                  5.387679D+03           4.900000D-05
                  1.749945D+03           2.780000D-04
                  6.696653D+02           1.253000D-03
                  2.841948D+02           4.447000D-03
                  1.296077D+02           1.337000D-02
                  6.225415D+01           3.046900D-02
                  3.092964D+01           5.344700D-02
                  1.575827D+01           5.263900D-02
                  8.094211D+00          -1.688100D-02
                  4.046921D+00          -1.794480D-01
                  1.967869D+00          -2.095880D-01
                  9.252950D-01          -3.963300D-02
                  3.529920D-01           5.021300D-01
                  1.273070D-01           5.811110D-01
                  4.435600D-02           4.566600D-02
            P    1   1.00
                  4.435600D-02           1.000000D+00
            P    1   1.00
                  1.545000D-02           1.000000D+00
            D    8   1.00
                  1.738970D+02           2.700000D-03
                  5.188690D+01           2.090900D-02
                  1.934190D+01           8.440800D-02
                  7.975720D+00           2.139990D-01
                  3.398230D+00           3.359800D-01
                  1.409320D+00           3.573010D-01
                  5.488580D-01           2.645780D-01
                  1.901990D-01           1.039720D-01
            D    8   1.00
                  1.738970D+02          -3.363000D-03
                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
                  7.975720D+00          -2.822170D-01
                  3.398230D+00          -3.471900D-01
                  1.409320D+00           2.671100D-02
                  5.488580D-01           4.920470D-01
                  1.901990D-01           4.384220D-01
            D    1   1.00
                  1.901990D-01           1.000000D+00
            D    1   1.00
                  6.591000D-02           1.000000D+00
            F    2   1.00
                  5.028600D+00           4.242800D-01
                  1.259400D+00           7.630250D-01
            F    1   1.00
                  4.617200D-01           1.000000D+00
            ****
            -Zn     0
            S    20   1.00
                  5.820021D+06           8.549241D-06
                  8.715234D+05           6.647410D-05
                  1.983350D+05           3.494962D-04
                  5.617631D+04           1.473832D-03
                  1.832582D+04           5.338330D-03
                  6.614955D+03           1.712708D-02
                  2.579199D+03           4.894085D-02
                  1.068849D+03           1.217934D-01
                  4.651045D+02           2.476589D-01
                  2.104130D+02           3.582431D-01
                  9.761629D+01           2.798174D-01
                  4.438020D+01           6.857491D-02
                  2.142308D+01          -1.311092D-03
                  1.030891D+01           1.914001D-03
                  4.553645D+00          -8.759220D-04
                  2.132821D+00           3.740096D-04
                  9.296970D-01          -1.401399D-04
                  1.921470D-01           4.757132D-05
                  8.759500D-02          -3.642711D-05
                  3.770200D-02           1.153248D-05
            S    20   1.00
                  5.820021D+06          -2.640069D-06
                  8.715234D+05          -2.052720D-05
                  1.983350D+05          -1.079859D-04
                  5.617631D+04          -4.558577D-04
                  1.832582D+04          -1.657758D-03
                  6.614955D+03          -5.368492D-03
                  2.579199D+03          -1.571249D-02
                  1.068849D+03          -4.122558D-02
                  4.651045D+02          -9.406459D-02
                  2.104130D+02          -1.719954D-01
                  9.761629D+01          -1.958523D-01
                  4.438020D+01           4.532907D-02
                  2.142308D+01           5.244442D-01
                  1.030891D+01           5.006142D-01
                  4.553645D+00           8.945527D-02
                  2.132821D+00          -2.146262D-03
                  9.296970D-01           2.112113D-03
                  1.921470D-01          -4.133980D-04
                  8.759500D-02           3.209752D-04
                  3.770200D-02          -1.016140D-04
            S    20   1.00
                  5.820021D+06           9.967103D-07
                  8.715234D+05           7.754163D-06
                  1.983350D+05           4.076019D-05
                  5.617631D+04           1.722811D-04
                  1.832582D+04           6.259370D-04
                  6.614955D+03           2.032855D-03
                  2.579199D+03           5.954646D-03
                  1.068849D+03           1.576640D-02
                  4.651045D+02           3.637638D-02
                  2.104130D+02           6.892343D-02
                  9.761629D+01           8.238093D-02
                  4.438020D+01          -2.011360D-02
                  2.142308D+01          -3.252526D-01
                  1.030891D+01          -4.602899D-01
                  4.553645D+00           1.635546D-01
                  2.132821D+00           7.297118D-01
                  9.296970D-01           3.769751D-01
                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
                  3.770200D-02           1.766214D-03
            S    20   1.00
                  5.820021D+06           1.995818D-07
                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
                  5.617631D+04           3.450747D-05
                  1.832582D+04           1.253275D-04
                  6.614955D+03           4.072990D-04
                  2.579199D+03           1.192734D-03
                  1.068849D+03           3.163140D-03
                  4.651045D+02           7.303942D-03
                  2.104130D+02           1.391279D-02
                  9.761629D+01           1.670620D-02
                  4.438020D+01          -4.035586D-03
                  2.142308D+01          -6.968861D-02
                  1.030891D+01          -1.030105D-01
                  4.553645D+00           4.471442D-02
                  2.132821D+00           2.150027D-01
                  9.296970D-01           2.220163D-01
                  1.921470D-01          -3.114776D-01
                  8.759500D-02          -5.693429D-01
                  3.770200D-02          -2.678440D-01
            S    20   1.00
                  5.820021D+06          -5.435910D-07
                  8.715234D+05          -4.336894D-06
                  1.983350D+05          -2.197572D-05
                  5.617631D+04          -9.747392D-05
                  1.832582D+04          -3.331615D-04
                  6.614955D+03          -1.166192D-03
                  2.579199D+03          -3.119308D-03
                  1.068849D+03          -9.239504D-03
                  4.651045D+02          -1.855471D-02
                  2.104130D+02          -4.281189D-02
                  9.761629D+01          -3.571095D-02
                  4.438020D+01          -1.638350D-02
                  2.142308D+01           2.644664D-01
                  1.030891D+01           2.086588D-01
                  4.553645D+00          -1.774382D-02
                  2.132821D+00          -1.353873D+00
                  9.296970D-01           8.182926D-01
                  1.921470D-01           1.695036D+00
                  8.759500D-02          -1.388656D+00
                  3.770200D-02          -2.188900D-01
            S    1   1.00
                  3.770200D-02           1.000000D+00
            S    1   1.00
                  1.623000D-02           1.000000D+00
            P    16   1.00
                  2.441198D+04          -1.500000D-05
                  5.778518D+03          -1.350000D-04
                  1.876862D+03          -7.820000D-04
                  7.182361D+02          -3.478000D-03
                  3.048327D+02          -1.252000D-02
                  1.390453D+02          -3.701600D-02
                  6.680417D+01          -8.555900D-02
                  3.320699D+01          -1.447180D-01
                  1.692816D+01          -1.434420D-01
                  8.696229D+00           4.359500D-02
                  4.350510D+00           3.488880D-01
                  2.116523D+00           4.538650D-01
                  9.953870D-01           2.685940D-01
                  3.781120D-01           3.886800D-02
                  1.345790D-01          -2.492000D-03
                  4.628200D-02           1.014000D-03
            P    16   1.00
                  2.441198D+04           3.000000D-06
                  5.778518D+03           2.500000D-05
                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
                  3.048327D+02           2.311000D-03
                  1.390453D+02           6.898000D-03
                  6.680417D+01           1.588200D-02
                  3.320699D+01           2.735000D-02
                  1.692816D+01           2.662100D-02
                  8.696229D+00          -1.085800D-02
                  4.350510D+00          -7.985300D-02
                  2.116523D+00          -1.061270D-01
                  9.953870D-01          -6.888300D-02
                  3.781120D-01           1.843850D-01
                  1.345790D-01           5.617880D-01
                  4.628200D-02           4.144160D-01
            P    16   1.00
                  2.441198D+04           5.000000D-06
                  5.778518D+03           4.200000D-05
                  1.876862D+03           2.380000D-04
                  7.182361D+02           1.088000D-03
                  3.048327D+02           3.821000D-03
                  1.390453D+02           1.164400D-02
                  6.680417D+01           2.616700D-02
                  3.320699D+01           4.675000D-02
                  1.692816D+01           4.330900D-02
                  8.696229D+00          -1.342900D-02
                  4.350510D+00          -1.538970D-01
                  2.116523D+00          -1.674130D-01
                  9.953870D-01          -8.499500D-02
                  3.781120D-01           4.508130D-01
                  1.345790D-01           6.408690D-01
                  4.628200D-02           5.417200D-02
            P    15   1.00
                  2.441198D+04           4.100000D-05
                  5.778518D+03           3.610000D-04
                  1.876862D+03           2.088000D-03
                  7.182361D+02           9.221000D-03
                  3.048327D+02           3.277300D-02
                  1.390453D+02           9.417900D-02
                  6.680417D+01           2.091320D-01
                  3.320699D+01           3.345690D-01
                  1.692816D+01           3.303590D-01
                  8.696229D+00           1.523470D-01
                  4.350510D+00           2.298400D-02
                  2.116523D+00           1.607000D-03
                  9.953870D-01           4.680000D-04
                  3.781120D-01           6.600000D-05
                  1.345790D-01          -2.000000D-06
            P    1   1.00
                  4.628200D-02           1.000000D+00
            P    1   1.00
                  1.592000D-02           1.000000D+00
            D    8   1.00
                  2.056177D+02           2.342000D-03
                  6.144981D+01           1.860600D-02
                  2.305689D+01           7.710200D-02
                  9.577739D+00           2.020260D-01
                  4.133734D+00           3.294540D-01
                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
            D    8   1.00
                  2.056177D+02           3.279000D-03
                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
                  1.747518D+00          -5.837500D-02
                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
            D    1   1.00
                  2.516080D-01           1.000000D+00
            D    1   1.00
                  9.049000D-02           1.000000D+00
            F    2   1.00
                  5.734400D+00           4.311320D-01
                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
            S    14   1.00
                  4.851300D+05           2.068000D-04
                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
                  1.529100D+03           1.111699D-01
                  5.518100D+02           2.753930D-01
                  2.151800D+02           4.212628D-01
                  8.817400D+01           2.738906D-01
                  2.715400D+01           2.837200D-02
                  1.150300D+01          -6.293100D-03
                  3.301800D+00           2.060600D-03
                  1.331400D+00          -9.269000D-04
                  1.931600D-01           2.273000D-04
                  7.089500D-02          -1.063000D-04
            S    14   1.00
                  4.851300D+05          -6.430000D-05
                  7.271900D+04          -4.954000D-04
                  1.655200D+04          -2.620800D-03
                  4.687800D+03          -1.068390D-02
                  1.529100D+03          -3.741230D-02
                  5.518100D+02          -1.009636D-01
                  2.151800D+02          -2.145141D-01
                  8.817400D+01          -1.752297D-01
                  2.715400D+01           4.831599D-01
                  1.150300D+01           6.323677D-01
                  3.301800D+00           6.849420D-02
                  1.331400D+00          -1.187120D-02
                  1.931600D-01           2.665200D-03
                  7.089500D-02          -1.225100D-03
            S    14   1.00
                  4.851300D+05           2.450000D-05
                  7.271900D+04           1.895000D-04
                  1.655200D+04           9.964000D-04
                  4.687800D+03           4.108200D-03
                  1.529100D+03           1.429380D-02
                  5.518100D+02           3.980340D-02
                  2.151800D+02           8.559400D-02
                  8.817400D+01           7.963050D-02
                  2.715400D+01          -2.939107D-01
                  1.150300D+01          -5.263914D-01
                  3.301800D+00           5.864249D-01
                  1.331400D+00           6.726347D-01
                  1.931600D-01           2.761230D-02
                  7.089500D-02          -9.365100D-03
            S    14   1.00
                  4.851300D+05          -5.700000D-06
                  7.271900D+04          -4.400000D-05
                  1.655200D+04          -2.305000D-04
                  4.687800D+03          -9.544000D-04
                  1.529100D+03          -3.305500D-03
                  5.518100D+02          -9.288800D-03
                  2.151800D+02          -1.986440D-02
                  8.817400D+01          -1.908880D-02
                  2.715400D+01           7.323560D-02
                  1.150300D+01           1.341526D-01
                  3.301800D+00          -1.831929D-01
                  1.331400D+00          -3.571308D-01
                  1.931600D-01           6.246013D-01
                  7.089500D-02           5.238430D-01
            S    1   1.00
                  7.089500D-02           1.000000D+00
            S    1   1.00
                  0.0243480              1.0000000
            P    11   1.00
                  3.248600D+03           1.526000D-03
                  7.699700D+02           1.274860D-02
                  2.482000D+02           6.337420D-02
                  9.336400D+01           2.065775D-01
                  3.825100D+01           4.092963D-01
                  1.642200D+01           3.919183D-01
                  6.791800D+00           1.029441D-01
                  2.833600D+00          -7.203000D-04
                  1.106200D+00           2.095000D-03
                  2.225000D-01          -3.290000D-04
                  6.177200D-02           1.162000D-04
            P    11   1.00
                  3.248600D+03          -5.803000D-04
                  7.699700D+02          -4.864700D-03
                  2.482000D+02          -2.483940D-02
                  9.336400D+01          -8.417590D-02
                  3.825100D+01          -1.800885D-01
                  1.642200D+01          -1.585555D-01
                  6.791800D+00           2.355376D-01
                  2.833600D+00           5.820587D-01
                  1.106200D+00           3.366619D-01
                  2.225000D-01           1.719120D-02
                  6.177200D-02          -3.326500D-03
            P    11   1.00
                  3.248600D+03           9.500000D-05
                  7.699700D+02           7.832000D-04
                  2.482000D+02           4.085500D-03
                  9.336400D+01           1.359870D-02
                  3.825100D+01           3.026950D-02
                  1.642200D+01           2.417900D-02
                  6.791800D+00          -4.237770D-02
                  2.833600D+00          -1.265661D-01
                  1.106200D+00          -4.994440D-02
                  2.225000D-01           4.494199D-01
                  6.177200D-02           6.718899D-01
            P    1   1.00
                  6.177200D-02           1.000000D+00
            P    1   1.00
                  0.0151640              1.0000000
            D    5   1.00
                  6.533700D+01           2.738250D-02
                  1.849700D+01           1.510805D-01
                  6.315000D+00           3.749217D-01
                  2.163500D+00           4.750799D-01
                  6.667500D-01           2.982750D-01
            D    1   1.00
                  1.884000D-01           1.000000D+00
            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
            S    14   1.00
                  5.218000D+05           2.045000D-04
                  7.821400D+04           1.586800D-03
                  1.780300D+04           8.248000D-03
                  5.041900D+03           3.366490D-02
                  1.644500D+03           1.101249D-01
                  5.934300D+02           2.735607D-01
                  2.313600D+02           4.210670D-01
                  9.476200D+01           2.766791D-01
                  2.927400D+01           2.921800D-02
                  1.245000D+01          -6.590300D-03
                  3.646300D+00           2.243000D-03
                  1.502500D+00          -1.038200D-03
                  2.450300D-01           2.695000D-04
                  9.159400D-02          -1.228000D-04
            S    14   1.00
                  5.218000D+05          -6.380000D-05
                  7.821400D+04          -4.916000D-04
                  1.780300D+04          -2.600200D-03
                  5.041900D+03          -1.060800D-02
                  1.644500D+03          -3.716020D-02
                  5.934300D+02          -1.005790D-01
                  2.313600D+02          -2.143977D-01
                  9.476200D+01          -1.782617D-01
                  2.927400D+01           4.777404D-01
                  1.245000D+01           6.355983D-01
                  3.646300D+00           7.221740D-02
                  1.502500D+00          -1.272650D-02
                  2.450300D-01           2.960800D-03
                  9.159400D-02          -1.329200D-03
            S    14   1.00
                  5.218000D+05           2.460000D-05
                  7.821400D+04           1.900000D-04
                  1.780300D+04           9.993000D-04
                  5.041900D+03           4.120000D-03
                  1.644500D+03           1.435570D-02
                  5.934300D+02           4.003750D-02
                  2.313600D+02           8.657940D-02
                  9.476200D+01           8.158610D-02
                  2.927400D+01          -2.934770D-01
                  1.245000D+01          -5.367983D-01
                  3.646300D+00           5.637985D-01
                  1.502500D+00           6.947182D-01
                  2.450300D-01           3.157300D-02
                  9.159400D-02          -9.894900D-03
            S    14   1.00
                  5.218000D+05          -6.300000D-06
                  7.821400D+04          -4.860000D-05
                  1.780300D+04          -2.553000D-04
                  5.041900D+03          -1.056000D-03
                  1.644500D+03          -3.667400D-03
                  5.934300D+02          -1.030530D-02
                  2.313600D+02          -2.222000D-02
                  9.476200D+01          -2.152750D-02
                  2.927400D+01           8.067520D-02
                  1.245000D+01           1.524958D-01
                  3.646300D+00          -1.980528D-01
                  1.502500D+00          -4.073954D-01
                  2.450300D-01           6.477288D-01
                  9.159400D-02           5.222033D-01
            S    1   1.00
                  9.159400D-02           1.000000D+00
            S    1   1.00
                  0.0339610              1.0000000
            P    11   1.00
                  3.568100D+03           1.459100D-03
                  8.457200D+02           1.221760D-02
                  2.727400D+02           6.104900D-02
                  1.026800D+02           2.008039D-01
                  4.214800D+01           4.038942D-01
                  1.814900D+01           3.970027D-01
                  7.593400D+00           1.105481D-01
                  3.196400D+00           7.680000D-05
                  1.274300D+00           2.126300D-03
                  2.825800D-01          -3.744000D-04
                  8.409000D-02           1.321000D-04
            P    11   1.00
                  3.568100D+03          -5.630000D-04
                  8.457200D+02          -4.735400D-03
                  2.727400D+02          -2.426430D-02
                  1.026800D+02          -8.309000D-02
                  4.214800D+01          -1.800247D-01
                  1.814900D+01          -1.663295D-01
                  7.593400D+00           2.193717D-01
                  3.196400D+00           5.820239D-01
                  1.274300D+00           3.477720D-01
                  2.825800D-01           1.924550D-02
                  8.409000D-02          -3.482500D-03
            P    11   1.00
                  3.568100D+03           1.115000D-04
                  8.457200D+02           9.212000D-04
                  2.727400D+02           4.827300D-03
                  1.026800D+02           1.622720D-02
                  4.214800D+01           3.663540D-02
                  1.814900D+01           3.078670D-02
                  7.593400D+00          -4.806430D-02
                  3.196400D+00          -1.559804D-01
                  1.274300D+00          -6.323700D-02
                  2.825800D-01           5.040819D-01
                  8.409000D-02           6.182200D-01
            P    1   1.00
                  8.409000D-02           1.000000D+00
            P    1   1.00
                  0.0239450              1.0000000
            D    5   1.00
                  7.476200D+01           2.576840D-02
                  2.130200D+01           1.454421D-01
                  7.343600D+00           3.713721D-01
                  2.565100D+00           4.800002D-01
                  8.197000D-01           2.896800D-01
            D    1   1.00
                  2.470000D-01           1.000000D+00
            D    1   1.00
                  0.0771000              1.0000000
            ****
            -As     0
            S    14   1.00
                  5.595838D+05           2.024000D-04
                  8.387933D+04           1.570900D-03
                  1.909267D+04           8.166200D-03
                  5.407392D+03           3.333990D-02
                  1.763756D+03           1.091726D-01
                  6.364567D+02           2.718853D-01
                  2.480884D+02           4.208509D-01
                  1.015785D+02           2.792257D-01
                  3.147551D+01           3.003010D-02
                  1.343728D+01          -6.880400D-03
                  4.008690D+00           2.424000D-03
                  1.684929D+00          -1.149100D-03
                  3.000190D-01           3.095000D-04
                  1.135870D-01          -1.377000D-04
            S    14   1.00
                  5.595838D+05          -6.340000D-05
                  8.387933D+04          -4.883000D-04
                  1.909267D+04          -2.582100D-03
                  5.407392D+03          -1.054020D-02
                  1.763756D+03          -3.693250D-02
                  6.364567D+02          -1.002355D-01
                  2.480884D+02          -2.142948D-01
                  1.015785D+02          -1.810526D-01
                  3.147551D+01           4.725410D-01
                  1.343728D+01           6.386194D-01
                  4.008690D+00           7.581070D-02
                  1.684929D+00          -1.352780D-02
                  3.000190D-01           3.197000D-03
                  1.135870D-01          -1.405600D-03
            S    14   1.00
                  5.595838D+05           2.460000D-05
                  8.387933D+04           1.907000D-04
                  1.909267D+04           1.003100D-03
                  5.407392D+03           4.135300D-03
                  1.763756D+03           1.442590D-02
                  6.364567D+02           4.029620D-02
                  2.480884D+02           8.756700D-02
                  1.015785D+02           8.351780D-02
                  3.147551D+01          -2.932935D-01
                  1.343728D+01          -5.470520D-01
                  4.008690D+00           5.438738D-01
                  1.684929D+00           7.143591D-01
                  3.000190D-01           3.534430D-02
                  1.135870D-01          -1.028920D-02
            S    14   1.00
                  5.595838D+05          -6.800000D-06
                  8.387933D+04          -5.250000D-05
                  1.909267D+04          -2.756000D-04
                  5.407392D+03          -1.138900D-03
                  1.763756D+03          -3.964600D-03
                  6.364567D+02          -1.114230D-02
                  2.480884D+02          -2.419910D-02
                  1.015785D+02          -2.363390D-02
                  3.147551D+01           8.663170D-02
                  1.343728D+01           1.685839D-01
                  4.008690D+00          -2.091425D-01
                  1.684929D+00          -4.500918D-01
                  3.000190D-01           6.603978D-01
                  1.135870D-01           5.284152D-01
            S    1   1.00
                  1.135870D-01           1.000000D+00
            S    1   1.00
                  0.0411520              1.0000000
            P    11   1.00
                  3.886356D+03           1.409700D-03
                  9.212020D+02           1.182770D-02
                  2.971932D+02           5.932800D-02
                  1.119751D+02           1.965115D-01
                  4.603462D+01           3.997891D-01
                  1.987419D+01           4.004653D-01
                  8.386088D+00           1.164196D-01
                  3.558728D+00           6.918000D-04
                  1.447282D+00           2.163300D-03
                  3.477790D-01          -4.150000D-04
                  1.076990D-01           1.452000D-04
            P    11   1.00
                  3.886356D+03          -5.519000D-04
                  9.212020D+02          -4.655000D-03
                  2.971932D+02          -2.391760D-02
                  1.119751D+02          -8.256270D-02
                  4.603462D+01          -1.806791D-01
                  1.987419D+01          -1.724848D-01
                  8.386088D+00           2.086700D-01
                  3.558728D+00           5.823622D-01
                  1.447282D+00           3.537465D-01
                  3.477790D-01           2.064390D-02
                  1.076990D-01          -3.638200D-03
            P    11   1.00
                  3.886356D+03           1.236000D-04
                  9.212020D+02           1.024000D-03
                  2.971932D+02           5.380500D-03
                  1.119751D+02           1.824430D-02
                  4.603462D+01           4.159790D-02
                  1.987419D+01           3.629980D-02
                  8.386088D+00          -5.235690D-02
                  3.558728D+00          -1.791667D-01
                  1.447282D+00          -7.404770D-02
                  3.477790D-01           5.358094D-01
                  1.076990D-01           5.888104D-01
            P    1   1.00
                  1.076990D-01           1.000000D+00
            P    1   1.00
                  0.0312680              1.0000000
            D    5   1.00
                  8.442423D+01           2.452880D-02
                  2.418159D+01           1.411340D-01
                  8.401777D+00           3.687579D-01
                  2.980502D+00           4.840626D-01
                  9.790030D-01           2.824434D-01
            D    1   1.00
                  3.098000D-01           1.000000D+00
            D    1   1.00
                  0.1078000              1.0000000
            ****
            -Se     0
            S    14   1.00
                  5.989900D+05           2.004000D-04
                  8.978300D+04           1.555400D-03
                  2.043500D+04           8.087200D-03
                  5.786900D+03           3.303440D-02
                  1.887300D+03           1.082924D-01
                  6.809700D+02           2.703361D-01
                  2.653900D+02           4.206236D-01
                  1.086300D+02           2.815922D-01
                  3.376000D+01           3.081100D-02
                  1.446500D+01          -7.161700D-03
                  4.389000D+00           2.602200D-03
                  1.878300D+00          -1.258300D-03
                  3.585900D-01           3.465000D-04
                  1.364900D-01          -1.503000D-04
            S    14   1.00
                  5.989900D+05          -6.290000D-05
                  8.978300D+04          -4.850000D-04
                  2.043500D+04          -2.564400D-03
                  5.786900D+03          -1.047610D-02
                  1.887300D+03          -3.672230D-02
                  6.809700D+02          -9.992250D-02
                  2.653900D+02          -2.141973D-01
                  1.086300D+02          -1.836593D-01
                  3.376000D+01           4.675454D-01
                  1.446500D+01           6.414740D-01
                  4.389000D+00           7.925690D-02
                  1.878300D+00          -1.426970D-02
                  3.585900D-01           3.379200D-03
                  1.364900D-01          -1.453700D-03
            S    14   1.00
                  5.989900D+05           2.470000D-05
                  8.978300D+04           1.913000D-04
                  2.043500D+04           1.006800D-03
                  5.786900D+03           4.151400D-03
                  1.887300D+03           1.449910D-02
                  6.809700D+02           4.056580D-02
                  2.653900D+02           8.853640D-02
                  1.086300D+02           8.542120D-02
                  3.376000D+01          -2.932581D-01
                  1.446500D+01          -5.570727D-01
                  4.389000D+00           5.261436D-01
                  1.878300D+00           7.320371D-01
                  3.585900D-01           3.882460D-02
                  1.364900D-01          -1.050360D-02
            S    14   1.00
                  5.989900D+05          -7.200000D-06
                  8.978300D+04          -5.590000D-05
                  2.043500D+04          -2.938000D-04
                  5.786900D+03          -1.213600D-03
                  1.887300D+03          -4.234000D-03
                  6.809700D+02          -1.190350D-02
                  2.653900D+02          -2.602060D-02
                  1.086300D+02          -2.561480D-02
                  3.376000D+01           9.194270D-02
                  1.446500D+01           1.838700D-01
                  4.389000D+00          -2.188461D-01
                  1.878300D+00          -4.896524D-01
                  3.585900D-01           6.775818D-01
                  1.364900D-01           5.296721D-01
            S    1   1.00
                  1.364900D-01           1.000000D+00
            S    1   1.00
                  0.0487470              1.0000000
            P    11   1.00
                  4.135600D+03           1.412700D-03
                  9.803400D+02           1.185880D-02
                  3.163500D+02           5.951530D-02
                  1.192500D+02           1.972201D-01
                  4.906800D+01           4.007439D-01
                  2.121200D+01           3.994740D-01
                  8.946200D+00           1.153364D-01
                  3.823600D+00           2.219000D-04
                  1.588300D+00           2.283800D-03
                  4.096900D-01          -4.756000D-04
                  1.245900D-01           1.516000D-04
            P    11   1.00
                  4.135600D+03          -5.610000D-04
                  9.803400D+02          -4.734000D-03
                  3.163500D+02          -2.435040D-02
                  1.192500D+02          -8.410710D-02
                  4.906800D+01          -1.841384D-01
                  2.121200D+01          -1.735004D-01
                  8.946200D+00           2.167263D-01
                  3.823600D+00           5.850099D-01
                  1.588300D+00           3.416816D-01
                  4.096900D-01           1.991250D-02
                  1.245900D-01          -2.613100D-03
            P    11   1.00
                  4.135600D+03           1.366000D-04
                  9.803400D+02           1.130800D-03
                  3.163500D+02           5.958100D-03
                  1.192500D+02           2.018660D-02
                  4.906800D+01           4.619390D-02
                  2.121200D+01           3.940500D-02
                  8.946200D+00          -5.928460D-02
                  3.823600D+00          -2.014663D-01
                  1.588300D+00          -6.878210D-02
                  4.096900D-01           5.595944D-01
                  1.245900D-01           5.709784D-01
            P    1   1.00
                  1.245900D-01           1.000000D+00
            P    1   1.00
                  0.0354920              1.0000000
            D    5   1.00
                  9.447200D+01           2.349820D-02
                  2.718000D+01           1.375183D-01
                  9.506800D+00           3.664824D-01
                  3.416800D+00           4.874717D-01
                  1.147900D+00           2.765769D-01
            D    1   1.00
                  3.682000D-01           1.000000D+00
            D    1   1.00
                  0.1283000              1.0000000
            ****
            -Br     0
            S    14   1.00
                  6.401000D+05           1.984000D-04
                  9.593800D+04           1.540000D-03
                  2.183300D+04           8.009600D-03
                  6.181900D+03           3.273410D-02
                  2.015700D+03           1.074480D-01
                  7.271000D+02           2.688946D-01
                  2.832800D+02           4.204411D-01
                  1.159100D+02           2.838041D-01
                  3.612400D+01           3.154550D-02
                  1.553200D+01          -7.426800D-03
                  4.785700D+00           2.772800D-03
                  2.081700D+00          -1.363500D-03
                  4.202800D-01           3.812000D-04
                  1.606900D-01          -1.615000D-04
            S    14   1.00
                  6.401000D+05          -6.250000D-05
                  9.593800D+04          -4.816000D-04
                  2.183300D+04          -2.546600D-03
                  6.181900D+03          -1.041120D-02
                  2.015700D+03          -3.651790D-02
                  7.271000D+02          -9.962950D-02
                  2.832800D+02          -2.141310D-01
                  1.159100D+02          -1.860911D-01
                  3.612400D+01           4.628261D-01
                  1.553200D+01           6.441141D-01
                  4.785700D+00           8.255020D-02
                  2.081700D+00          -1.496940D-02
                  4.202800D-01           3.528800D-03
                  1.606900D-01          -1.490900D-03
            S    14   1.00
                  6.401000D+05           2.480000D-05
                  9.593800D+04           1.919000D-04
                  2.183300D+04           1.010000D-03
                  6.181900D+03           4.165900D-03
                  2.015700D+03           1.456830D-02
                  7.271000D+02           4.083450D-02
                  2.832800D+02           8.948590D-02
                  1.159100D+02           8.727860D-02
                  3.612400D+01          -2.933644D-01
                  1.553200D+01          -5.667109D-01
                  4.785700D+00           5.105658D-01
                  2.081700D+00           7.477214D-01
                  4.202800D-01           4.215120D-02
                  1.606900D-01          -1.066120D-02
            S    14   1.00
                  6.401000D+05          -7.600000D-06
                  9.593800D+04          -5.880000D-05
                  2.183300D+04          -3.092000D-04
                  6.181900D+03          -1.276600D-03
                  2.015700D+03          -4.463400D-03
                  7.271000D+02          -1.255750D-02
                  2.832800D+02          -2.761450D-02
                  1.159100D+02          -2.739450D-02
                  3.612400D+01           9.640940D-02
                  1.553200D+01           1.976871D-01
                  4.785700D+00          -2.266693D-01
                  2.081700D+00          -5.241165D-01
                  4.202800D-01           6.889865D-01
                  1.606900D-01           5.344331D-01
            S    1   1.00
                  1.606900D-01           1.000000D+00
            S    1   1.00
                  0.0569460              1.0000000
            P    11   1.00
                  4.340800D+03           1.444800D-03
                  1.028900D+03           1.212880D-02
                  3.320200D+02           6.080770D-02
                  1.251600D+02           2.009358D-01
                  5.151100D+01           4.047419D-01
                  2.228100D+01           3.957151D-01
                  9.341700D+00           1.102213D-01
                  4.013200D+00          -9.090000D-04
                  1.700200D+00           2.483200D-03
                  4.719400D-01          -5.744000D-04
                  1.442100D-01           1.691000D-04
            P    11   1.00
                  4.340800D+03          -5.819000D-04
                  1.028900D+03          -4.906500D-03
                  3.320200D+02          -2.525140D-02
                  1.251600D+02          -8.694450D-02
                  5.151100D+01          -1.893422D-01
                  2.228100D+01          -1.710882D-01
                  9.341700D+00           2.368755D-01
                  4.013200D+00           5.898400D-01
                  1.700200D+00           3.171944D-01
                  4.719400D-01           1.798330D-02
                  1.442100D-01          -1.468300D-03
            P    11   1.00
                  4.340800D+03           1.518000D-04
                  1.028900D+03           1.256300D-03
                  3.320200D+02           6.622400D-03
                  1.251600D+02           2.238160D-02
                  5.151100D+01           5.097170D-02
                  2.228100D+01           4.140090D-02
                  9.341700D+00          -7.039700D-02
                  4.013200D+00          -2.232540D-01
                  1.700200D+00          -5.641790D-02
                  4.719400D-01           5.808079D-01
                  1.442100D-01           5.508132D-01
            P    1   1.00
                  1.442100D-01           1.000000D+00
            P    1   1.00
                  0.0410490              1.0000000
            D    5   1.00
                  1.048300D+02           2.265830D-02
                  3.027200D+01           1.345895D-01
                  1.064900D+01           3.647181D-01
                  3.869600D+00           4.904196D-01
                  1.323900D+00           2.713885D-01
            D    1   1.00
                  4.098000D-01           1.000000D+00
            D    1   1.00
                  0.1719000              1.0000000
            ****
            -Kr     0
            S    14   1.00
                  6.813588D+05           1.969000D-04
                  1.021265D+05           1.528600D-03
                  2.324371D+04           7.950000D-03
                  6.582007D+03           3.249380D-02
                  2.146429D+03           1.067240D-01
                  7.743378D+02           2.675701D-01
                  3.016702D+02           4.201851D-01
                  1.234118D+02           2.858015D-01
                  3.856755D+01           3.224610D-02
                  1.663738D+01          -7.682800D-03
                  5.198795D+00           2.939300D-03
                  2.294814D+00          -1.466200D-03
                  4.852110D-01           4.144000D-04
                  1.862700D-01          -1.720000D-04
            S    14   1.00
                  6.813588D+05          -6.220000D-05
                  1.021265D+05          -4.794000D-04
                  2.324371D+04          -2.534100D-03
                  6.582007D+03          -1.036360D-02
                  2.146429D+03          -3.635160D-02
                  7.743378D+02          -9.937370D-02
                  3.016702D+02          -2.140610D-01
                  1.234118D+02          -1.883192D-01
                  3.856755D+01           4.583816D-01
                  1.663738D+01           6.465664D-01
                  5.198795D+00           8.565790D-02
                  2.294814D+00          -1.561230D-02
                  4.852110D-01           3.649000D-03
                  1.862700D-01          -1.518900D-03
            S    14   1.00
                  6.813588D+05           2.490000D-05
                  1.021265D+05           1.928000D-04
                  2.324371D+04           1.014900D-03
                  6.582007D+03           4.185700D-03
                  2.146429D+03           1.464590D-02
                  7.743378D+02           4.110700D-02
                  3.016702D+02           9.039550D-02
                  1.234118D+02           8.906230D-02
                  3.856755D+01          -2.935718D-01
                  1.663738D+01          -5.759698D-01
                  5.198795D+00           4.968578D-01
                  2.294814D+00           7.616895D-01
                  4.852110D-01           4.532670D-02
                  1.862700D-01          -1.077220D-02
            S    14   1.00
                  6.813588D+05          -7.900000D-06
                  1.021265D+05          -6.140000D-05
                  2.324371D+04          -3.230000D-04
                  6.582007D+03          -1.333000D-03
                  2.146429D+03          -4.667200D-03
                  7.743378D+02          -1.313520D-02
                  3.016702D+02          -2.903420D-02
                  1.234118D+02          -2.901730D-02
                  3.856755D+01           1.002664D-01
                  1.663738D+01           2.103818D-01
                  5.198795D+00          -2.332471D-01
                  2.294814D+00          -5.546497D-01
                  4.852110D-01           6.969522D-01
                  1.862700D-01           5.408152D-01
            S    1   1.00
                  1.862700D-01           1.000000D+00
            S    1   1.00
                  0.0651450              1.0000000
            P    11   1.00
                  4.474270D+03           1.519500D-03
                  1.060579D+03           1.274240D-02
                  3.422081D+02           6.364650D-02
                  1.289984D+02           2.085635D-01
                  5.308722D+01           4.122423D-01
                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
                  4.083055D+00          -2.507800D-03
                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
                  1.643690D-01           2.107000D-04
            P    11   1.00
                  4.474270D+03          -6.208000D-04
                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
                  9.507300D+00           2.738204D-01
                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
                  5.308722D+01           5.571550D-02
                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
                  5.291900D-01           6.012295D-01
                  1.643690D-01           5.254807D-01
            P    1   1.00
                  1.643690D-01           1.000000D+00
            P    1   1.00
                  0.0466060              1.0000000
            D    5   1.00
                  1.155253D+02           2.195570D-02
                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
                  1.507524D+00           2.667560D-01
            D    1   1.00
                  5.030000D-01           1.000000D+00
            D    1   1.00
                  0.2155000              1.0000000
            ****
            -Y     0
            S    7   1.00
                 29.2935000              0.0066660
                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
                  0.0690850              0.6581470
            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
                  0.0690850             -1.8636390
            S    1   1.00
                  0.0274150              1.0000000
            S    1   1.00
                  0.0109000              1.0000000
            P    6   1.00
                  9.0271500              0.0203960
                  4.0242700             -0.1536620
                  0.9906740              0.4320820
                  0.4727970              0.4983480
                  0.2197340              0.1957420
                  0.0800880              0.0140830
            P    6   1.00
                  9.0271500             -0.0056190
                  4.0242700              0.0465110
                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
                  0.0800880              0.6364970
            P    6   1.00
                  9.0271500              0.0111310
                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
                  0.0800880             -0.1131120
            P    1   1.00
                  0.0306400              1.0000000
            P    1   1.00
                  0.0117000              1.0000000
            D    5   1.00
                  4.3045000             -0.0043910
                  1.3201900              0.1196820
                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
                  4.3045000              0.0044330
                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
                  0.0879490              0.4218970
            D    1   1.00
                  0.0323050              1.0000000
            D    1   1.00
                  0.0119000              1.0000000
            F    1   1.00
                  0.2028000              1.0000000
            F    1   1.00
                  0.0484000              1.0000000
            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
                  0.0777920              0.0203880
            S    7   1.00
                 53.4460000             -0.0003080
                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
                  0.0777920              0.6560480
            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
                  0.0777920             -1.6769590
            S    1   1.00
                  0.0302340              1.0000000
            S    1   1.00
                  0.0118000              1.0000000
            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
                  0.0847070              0.8518400
            P    1   1.00
                  0.0311380              1.0000000
            P    1   1.00
                  0.0114000              1.0000000
            D    5   1.00
                  4.3948700             -0.0082920
                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
                  4.3948700              0.0084760
                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
                  0.1158780              0.4914180
            D    1   1.00
                  0.0429250              1.0000000
            D    1   1.00
                  0.0159000              1.0000000
            F    1   1.00
                  0.3272000              1.0000000
            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
                  0.0854690              0.6546160
            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
                  0.0326640              1.0000000
            S    1   1.00
                  0.0125000              1.0000000
            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
                  0.0929460              0.0087660
            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
                  0.0338800              1.0000000
            P    1   1.00
                  0.0123000              1.0000000
            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
                  0.1447240              0.4861590
            D    1   1.00
                  0.0543230              1.0000000
            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
                  0.4690000              1.0000000
            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
                  0.0925180              0.6498330
            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
                  0.0348540              1.0000000
            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
                  0.0362770              1.0000000
            P    1   1.00
                  0.0131000              1.0000000
            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
                  0.0623420              1.0000000
            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
                  0.0137000              1.0000000
            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
                  0.0381770              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  5.7601300             -0.0164110
                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
                  0.1936070              0.5346560
            D    1   1.00
                  0.0714600              1.0000000
            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
                  0.0824110              1.0000000
            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
                  0.0431300              1.0000000
            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
                  0.3661640              0.3299670
            D    1   1.00
                  0.1239770              1.0000000
            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
                  7.1390600              0.0546710
                  1.8300700             -0.1661610
                  0.8583350             -0.1858420
                  0.3772750              0.0731610
                  0.1256960              0.5861720
            P    6   1.00
                 14.0509000             -0.0186030
                  7.1390600              0.1098650
                  1.8300700             -0.3664000
                  0.8583350             -0.3473160
                  0.3772750              0.4820340
                  0.1256960              0.7096400
            P    1   1.00
                  0.0426590              1.0000000
            P    1   1.00
                  0.0145000              1.0000000
            D    5   1.00
                 19.2539000              0.0066240
                 10.5848000             -0.0184110
                  2.4561900              0.2633960
                  1.0352900              0.4524480
                  0.4020080              0.3758330
            D    5   1.00
                 19.2539000             -0.0078390
                 10.5848000              0.0218380
                  2.4561900             -0.3691550
                  1.0352900             -0.4309590
                  0.4020080              0.3749650
            D    1   1.00
                  0.1370570              1.0000000
            D    1   1.00
                  0.0467000              1.0000000
            F    1   1.00
                  1.1484000              1.0000000
            F    1   1.00
                  0.3788000              1.0000000
            ****
            -Ag     0
            S    8   1.00
                180.0750000              0.0008490
                 21.8987000             -0.0654500
                 13.8670000              0.2977650
                  6.1426300             -0.7531210
                  1.4381400              0.8811750
                  0.6483820              0.4351760
                  0.1288820              0.0147380
                  0.0457380             -0.0013990
            S    8   1.00
                180.0750000             -0.0002030
                 21.8987000              0.0157230
                 13.8670000             -0.0792290
                  6.1426300              0.2226340
                  1.4381400             -0.3491960
                  0.6483820             -0.2559780
                  0.1288820              0.5486660
                  0.0457380              0.6181030
            S    8   1.00
                180.0750000             -0.0008620
                 21.8987000              0.0525460
                 13.8670000             -0.2081000
                  6.1426300              0.5249720
                  1.4381400             -1.2701730
                  0.6483820              0.5393730
                  0.1288820              1.6533910
                  0.0457380             -1.5839750
            S    1   1.00
                  0.0457380              1.0000000
            S    1   1.00
                  0.0162000              1.0000000
            P    7   1.00
                 11.8751000              0.1162480
                  8.0024500             -0.3072860
                  2.0176600              0.5157360
                  0.9542300              0.5031040
                  0.4231180              0.1420950
                  0.1358850              0.0051530
                  0.0454010              0.0001040
            P    7   1.00
                 11.8751000             -0.0282840
                  8.0024500              0.0783470
                  2.0176600             -0.1567410
                  0.9542300             -0.1886250
                  0.4231180              0.0635650
                  0.1358850              0.5817780
                  0.0454010              0.4999110
            P    7   1.00
                 11.8751000             -0.0528570
                  8.0024500              0.1470390
                  2.0176600             -0.3129730
                  0.9542300             -0.3708280
                  0.4231180              0.4236290
                  0.1358850              0.7536550
                  0.0454010              0.0708700
            P    1   1.00
                  0.0454010              1.0000000
            P    1   1.00
                  0.0152000              1.0000000
            D    6   1.00
                 26.4320000              0.0034790
                 11.0345000             -0.0138480
                  2.7378700              0.2545990
                  1.1957500              0.4498490
                  0.4820420              0.3757380
                  0.1729080              0.1458790
            D    6   1.00
                 26.4320000             -0.0047330
                 11.0345000              0.0190700
                  2.7378700             -0.4332980
                  1.1957500             -0.4445680
                  0.4820420              0.4914420
                  0.1729080              0.5728660
            D    1   1.00
                  0.1729080              1.0000000
            D    1   1.00
                  0.0620000              1.0000000
            F    1   1.00
                  1.3299000              1.0000000
            F    1   1.00
                  0.4449000              1.0000000
            ****
            -Cd     0
            S    8   1.00
                223.8530000              0.0008710
                 23.0948000             -0.0643070
                 14.6522000              0.3013160
                  6.5704440             -0.7605240
                  1.5378300              0.8940710
                  0.6909840              0.4278790
                  0.1349130              0.0101880
                  0.0474420             -0.0024450
            S    8   1.00
                223.8530000             -0.0002290
                 23.0948000              0.0155940
                 14.6522000             -0.0810470
                  6.5704440              0.2272510
                  1.5378300             -0.3625630
                  0.6909840             -0.2507830
                  0.1349130              0.6135330
                  0.0474420              0.5582600
            S    8   1.00
                223.8530000              0.0010770
                 23.0948000             -0.0716490
                 14.6522000              0.2889750
                  6.5704440             -0.7315460
                  1.5378300              1.9768990
                  0.6909840             -1.3519510
                  0.1349130             -1.1186740
                  0.0474420              1.3026160
            S    1   1.00
                  0.0474420              1.0000000
            S    1   1.00
                  0.0167000              1.0000000
            P    7   1.00
                 13.7175000              0.0776160
                  8.4632200             -0.2579430
                  2.1182000              0.5352740
                  0.9892620              0.4963620
                  0.4317810              0.1231090
                  0.1391600              0.0032100
                  0.0461490              0.0003400
            P    7   1.00
                 13.7175000             -0.0180110
                  8.4632200              0.0637170
                  2.1182000             -0.1587410
                  0.9892620             -0.1762800
                  0.4317810              0.0710060
                  0.1391600              0.5775860
                  0.0461490              0.4994910
            P    7   1.00
                 13.7175000             -0.0307300
                  8.4632200              0.1087440
                  2.1182000             -0.2782310
                  0.9892620             -0.3293900
                  0.4317810              0.3546300
                  0.1391600              0.7814580
                  0.0461490              0.0852520
            P    1   1.00
                  0.0461490              1.0000000
            P    1   1.00
                  0.0153000              1.0000000
            D    6   1.00
                 31.6697000              0.0031630
                 12.2214000             -0.0117910
                  3.1219900              0.2411940
                  1.3894100              0.4489980
                  0.5732030              0.3802110
                  0.2117080              0.1445530
            D    6   1.00
                 31.6697000             -0.0048710
                 12.2214000              0.0185820
                  3.1219900             -0.4766730
                  1.3894100             -0.4576040
                  0.5732030              0.5714620
                  0.2117080              0.4973800
            D    1   1.00
                  0.2117080              1.0000000
            D    1   1.00
                  0.0782000              1.0000000
            F    1   1.00
                  1.5393000              1.0000000
            F    1   1.00
                  0.5177000              1.0000000
            ****
            -In     0
            S    8   1.00
                265.1310000              0.0007700
                 25.5694000             -0.0527910
                 16.0041000              0.2593430
                  6.8188500             -0.7392890
                  1.6667600              0.8857730
                  0.7692320              0.4425920
                  0.1704150              0.0115740
                  0.0622300             -0.0024510
            S    8   1.00
                265.1310000             -0.0002300
                 25.5694000              0.0140880
                 16.0041000             -0.0786150
                  6.8188500              0.2528640
                  1.6667600             -0.4155450
                  0.7692320             -0.2966470
                  0.1704150              0.6785780
                  0.0622300              0.5271290
            S    1   1.00
                  0.1704150              1.0000000
            S    1   1.00
                  0.0622300              1.0000000
            S    1   1.00
                  0.0203000              1.0000000
            P    6   1.00
                 14.4691000              0.0901770
                  9.2808300             -0.2676420
                  2.0820100              0.6644830
                  0.8443140              0.4616900
                  0.1869000              0.0270590
                  0.0547770             -0.0046770
            P    6   1.00
                 14.4691000             -0.0190230
                  9.2808300              0.0591570
                  2.0820100             -0.1807490
                  0.8443140             -0.1145820
                  0.1869000              0.4407390
                  0.0547770              0.6877890
            P    1   1.00
                  0.0547770              1.0000000
            P    1   1.00
                  0.0141000              1.0000000
            D    6   1.00
                 30.7879000              0.0057660
                 19.2555000             -0.0107080
                  3.1966200              0.2938600
                  1.3321000              0.5108690
                  0.5046190              0.3415190
                  0.1498000              0.0524650
            D    1   1.00
                  0.1498000              1.0000000
            D    1   1.00
                  0.0472000              1.0000000
            ****
            -Sn     0
            S    8   1.00
                380.3660000              0.0011650
                 28.5822000             -0.0260060
                 17.8892000              0.1660430
                  6.9286200             -0.6589140
                  1.7839100              0.8693360
                  0.8431380              0.4521320
                  0.2052280              0.0129730
                  0.0766360             -0.0024030
            S    8   1.00
                380.3660000             -0.0004420
                 28.5822000              0.0057020
                 17.8892000             -0.0528940
                  6.9286200              0.2520870
                  1.7839100             -0.4703430
                  0.8431380             -0.3161440
                  0.2052280              0.7206250
                  0.0766360              0.5111140
            S    1   1.00
                  0.2052280              1.0000000
            S    1   1.00
                  0.0766360              1.0000000
            S    1   1.00
                  0.0275000              1.0000000
            P    6   1.00
                 18.5489000              0.0370210
                  9.5669600             -0.1938660
                  2.2186100              0.6575940
                  0.9214590              0.4555060
                  0.2178580              0.0272160
                  0.0693200             -0.0046040
            P    6   1.00
                 18.5489000             -0.0090520
                  9.5669600              0.0517620
                  2.2186100             -0.2217430
                  0.9214590             -0.1242790
                  0.2178580              0.5218530
                  0.0693200              0.6099370
            P    1   1.00
                  0.0693200              1.0000000
            P    1   1.00
                  0.0209000              1.0000000
            D    6   1.00
                 38.5626000              0.0042610
                 21.7613000             -0.0068970
                  3.6611100              0.2762770
                  1.5583300              0.5143230
                  0.6095230              0.3445590
                  0.1897000              0.0515940
            D    1   1.00
                  0.1897000              1.0000000
            D    1   1.00
                  0.0649000              1.0000000
            ****
            -Sb     0
            S    8   1.00
                371.5840000              0.0015910
                 26.5392000             -0.0416840
                 16.6213000              0.2733430
                  7.7355100             -0.7676850
                  1.8923400              0.8994960
                  0.9104310              0.4313870
                  0.2442310              0.0128370
                  0.0923970             -0.0021730
            S    8   1.00
                371.5840000              0.0006540
                 26.5392000             -0.0109620
                 16.6213000              0.0938330
                  7.7355100             -0.3040090
                  1.8923400              0.5084090
                  0.9104310              0.3392390
                  0.2442310             -0.7347720
                  0.0923970             -0.5261340
            S    1   1.00
                  0.2442310              1.0000000
            S    1   1.00
                  0.0923970              1.0000000
            S    1   1.00
                  0.0327000              1.0000000
            P    6   1.00
                 16.0509000              0.0921570
                 10.2621000             -0.2755590
                  2.4283200              0.6586400
                  1.0336000              0.4668920
                  0.2594400              0.0285110
                  0.0861080             -0.0051550
            P    6   1.00
                 16.0509000             -0.0253130
                 10.2621000              0.0797960
                  2.4283200             -0.2420940
                  1.0336000             -0.1486050
                  0.2594400              0.5489440
                  0.0861080              0.5892910
            P    1   1.00
                  0.0861080              1.0000000
            P    1   1.00
                  0.0271000              1.0000000
            D    6   1.00
                 45.4785000              0.0032590
                 18.5114000             -0.0054970
                  3.9160000              0.2799530
                  1.7148200              0.5127510
                  0.6973190              0.3328720
                  0.2304000              0.0488430
            D    1   1.00
                  0.2304000              1.0000000
            D    1   1.00
                  0.0802000              1.0000000
            ****
            -Te     0
            S    8   1.00
               2111.1900000              0.0006120
                311.6910000              0.0032070
                 13.8226000              0.4055120
                  8.7174800             -0.9325880
                  1.9830300              0.9196570
                  0.9703770              0.4046710
                  0.2797650              0.0123660
                  0.1067760             -0.0016040
            S    8   1.00
               2111.1900000              0.0002510
                311.6910000              0.0014570
                 13.8226000              0.1637020
                  8.7174800             -0.3984550
                  1.9830300              0.5780740
                  0.9703770              0.3271240
                  0.2797650             -0.7846540
                  0.1067760             -0.4994510
            S    1   1.00
                  0.2797650              1.0000000
            S    1   1.00
                  0.1067760              1.0000000
            S    1   1.00
                  0.0369000              1.0000000
            P    6   1.00
                 17.0629000              0.0893400
                 10.8306000             -0.2711680
                  2.5938000              0.6620230
                  1.1267600              0.4607440
                  0.3001760              0.0288090
                  0.0975510             -0.0038630
            P    6   1.00
                 17.0629000             -0.0268610
                 10.8306000              0.0863040
                  2.5938000             -0.2735020
                  1.1267600             -0.1513900
                  0.3001760              0.5839760
                  0.0975510              0.5650140
            P    1   1.00
                  0.0975510              1.0000000
            P    1   1.00
                  0.0299000              1.0000000
            D    6   1.00
                 50.9106000              0.0033540
                 18.4647000             -0.0036420
                  4.2761700              0.2780800
                  1.8977000              0.5163480
                  0.7864800              0.3265710
                  0.2638000              0.0451520
            D    1   1.00
                  0.2638000              1.0000000
            D    1   1.00
                  0.0988000              1.0000000
            ****
            -I     0
            S    8   1.00
                  2.449790D+03           4.190000D-04
                  3.598080D+02           2.240000D-03
                  1.440580D+01           3.972230D-01
                  9.076320D+00          -9.322490D-01
                  2.088100D+00           9.371380D-01
                  1.034980D+00           3.920860D-01
                  3.162840D-01           1.248500D-02
                  1.217190D-01          -1.329000D-03
            S    8   1.00
                  2.449790D+03           1.750000D-04
                  3.598080D+02           1.057000D-03
                  1.440580D+01           1.690000D-01
                  9.076320D+00          -4.217930D-01
                  2.088100D+00           6.388640D-01
                  1.034980D+00           3.201150D-01
                  3.162840D-01          -8.144280D-01
                  1.217190D-01          -4.897980D-01
            S    1   1.00
                  3.162840D-01           1.000000D+00
            S    1   1.00
                  1.217190D-01           1.000000D+00
            S    1   1.00
                  4.200000D-02           1.0000000
            P    6   1.00
                  1.953010D+01           5.893400D-02
                  1.108820D+01          -2.309300D-01
                  2.715630D+00           6.648010D-01
                  1.204300D+00           4.506730D-01
                  3.399450D-01           2.898000D-02
                  1.108810D-01          -2.889000D-03
            P    6   1.00
                  1.953010D+01          -1.883600D-02
                  1.108820D+01           8.000600D-02
                  2.715630D+00          -3.066520D-01
                  1.204300D+00          -1.475940D-01
                  3.399450D-01           6.075060D-01
                  1.108810D-01           5.470490D-01
            P    1   1.00
                  1.108810D-01           1.000000D+00
            P    1   1.00
                  3.380000D-02           1.0000000
            D    6   1.00
                  4.547650D+01           4.266000D-03
                  1.319280D+01          -1.362500D-02
                  4.227410D+00           3.097560D-01
                  1.942800D+00           5.097720D-01
                  8.397710D-01           2.974610D-01
                  3.000000D-01           4.016400D-02
            D    1   1.00
                  3.000000D-01           1.000000D+00
            D    1   1.00
                  1.191000D-01           1.0000000
            ****
            -Xe     0
            S    8   1.00
               2058.3200000              0.0009380
                307.4270000              0.0044200
                 15.7815000              0.3543950
                  9.5447000             -0.8885140
                  2.2296900              0.9496240
                  1.1120000              0.3810660
                  0.3554300              0.0125430
                  0.1377260             -0.0010730
            S    8   1.00
               2058.3200000             -0.0004380
                307.4270000             -0.0022770
                 15.7815000             -0.1557960
                  9.5447000              0.4175780
                  2.2296900             -0.6793250
                  1.1120000             -0.3183090
                  0.3554300              0.8356730
                  0.1377260              0.4854110
            S    1   1.00
                  0.3554300              1.0000000
            S    1   1.00
                  0.1377260              1.0000000
            S    1   1.00
                  0.0473000              1.0000000
            P    6   1.00
                 20.1725000              0.0687400
                 11.8122000             -0.2446140
                  2.9346000              0.6676480
                  1.3189000              0.4501800
                  0.3858160              0.0286890
                  0.1269610             -0.0034820
            P    6   1.00
                 20.1725000             -0.0229670
                 11.8122000              0.0881150
                  2.9346000             -0.3233110
                  1.3189000             -0.1542280
                  0.3858160              0.6228820
                  0.1269610              0.5375650
            P    1   1.00
                  0.1269610              1.0000000
            P    1   1.00
                  0.0379000              1.0000000
            D    6   1.00
                 52.6666000              0.0048070
                 14.3464000             -0.0045170
                  4.8159700              0.3015100
                  2.2149600              0.5120370
                  0.9611280              0.2990900
                  0.3412000              0.0395700
            D    1   1.00
                  0.3412000              1.0000000
            D    1   1.00
                  0.1404000              1.0000000
            ****
            -Hf     0
            S    7   1.00
                 29.2650000              0.0294330
                 18.3491000             -0.1987340
                 11.5257000              0.4359330
                  4.3859900             -0.7730970
                  0.8910800              0.8677580
                  0.4057400              0.4202920
                  0.0950670              0.0131930
            S    7   1.00
                 29.2650000             -0.0090770
                 18.3491000              0.0611920
                 11.5257000             -0.1354740
                  4.3859900              0.2530470
                  0.8910800             -0.3699320
                  0.4057400             -0.3314430
                  0.0950670              0.6577990
            S    7   1.00
                 29.2650000              0.0309420
                 18.3491000             -0.1631770
                 11.5257000              0.3100050
                  4.3859900             -0.5289420
                  0.8910800              1.2562440
                  0.4057400             -0.4970260
                  0.0950670             -1.8102840
            S    1   1.00
                  0.0358680              1.0000000
            S    1   1.00
                  0.0135000              1.0000000
            P    6   1.00
                  7.1199600              0.1786130
                  4.6018200             -0.5085500
                  2.9004600              0.1812060
                  0.9377910              0.6364370
                  0.3915000              0.4348840
                  0.1071520              0.0442170
            P    6   1.00
                  7.1199600             -0.0485910
                  4.6018200              0.1398590
                  2.9004600             -0.0462230
                  0.9377910             -0.2282940
                  0.3915000             -0.1575630
                  0.1071520              0.5288190
            P    6   1.00
                  7.1199600             -0.0658780
                  4.6018200              0.1871460
                  2.9004600             -0.0488380
                  0.9377910             -0.3615180
                  0.3915000             -0.1743340
                  0.1071520              0.9190410
            P    1   1.00
                  0.0367710              1.0000000
            P    1   1.00
                  0.0126000              1.0000000
            D    5   1.00
                  7.4982700              0.0144910
                  4.6961800             -0.0529680
                  1.0636000              0.2380440
                  0.4188210              0.4352750
                  0.1545660              0.4244200
            D    5   1.00
                  7.4982700             -0.0165460
                  4.6961800              0.0618730
                  1.0636000             -0.3167410
                  0.4188210             -0.5274120
                  0.1545660              0.3428660
            D    1   1.00
                  0.0526440              1.0000000
            D    1   1.00
                  0.0179000              1.0000000
            F    1   1.00
                  0.2700000              1.0000000
            F    1   1.00
                  0.0824000              1.0000000
            ****
            -Ta     0
            S    7   1.00
                 29.8670000              0.0287250
                 18.7203000             -0.1985810
                 11.7533000              0.4482880
                  4.5708900             -0.7983960
                  0.9478400              0.8861040
                  0.4340380              0.4136940
                  0.1050310              0.0121460
            S    7   1.00
                 29.8670000             -0.0091320
                 18.7203000              0.0630170
                 11.7533000             -0.1437480
                  4.5708900              0.2705360
                  0.9478400             -0.4015970
                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/Tuned_LCPBE/Gau-142022.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/Tuned_LCPBE/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=    142023.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                16-Aug-2021 
 ******************************************
 %NoSave
 %NProc=8
 Will use up to    8 processors via shared memory.
 %Mem=42GB
 %chk=11_L-cysteine_conformer07_STD_LCPBE_augccpVDZ
 ----------------------------------------------------------------------
 #P LC-PBEPBE/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=200,Tight) 
 Polar=ROA Guess=Read Geom=Check CPHF=RdFreq IOp(1/33=1,3/107=033600000
 0,3/108=0336000000,3/119=1000000000,3/120=1000000000,3/130=-1,3/131=-1
 )
 ----------------------------------------------------------------------
 1/29=2,33=1,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=1001009,75=-5,107=336000000,108=336000000,116=-2,119=1000000000,120=1000000000,130=-1,131=-1/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=200,32=2,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Mon Aug 16 21:19:54 2021, MaxMem=  5637144576 cpu:               1.2 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 ONIOM results not found on unit 2.
 -----------------
 ROA calculations.
 -----------------
 TstMul:  ICh=     0
 TstMul:  Mul=     1
 TstMul:  ICh=     0
 TstMul:  Mul=     1
 Structure from the checkpoint file:  "11_L-cysteine_conformer07_STD_LCPBE_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 0.841982000000     -0.630213000000      0.360459000000
  S                                                 2.547171000000     -0.192191000000     -0.109995000000
  C                                                -0.225879000000      0.229919000000     -0.309856000000
  N                                                -0.226558000000      1.646777000000      0.057723000000
  C                                                -1.625290000000     -0.371631000000     -0.067003000000
  O                                                -1.831566000000     -1.553063000000     -0.022962000000
  O                                                -2.593125000000      0.543639000000      0.052246000000
  H                                                -0.077154000000      0.178374000000     -1.391781000000
  H                                                 0.739207000000     -0.597147000000      1.446150000000
  H                                                 0.710059000000     -1.667028000000      0.057631000000
  H                                                -2.140525000000      1.414460000000      0.004453000000
  H                                                 0.443329000000      2.173429000000     -0.486604000000
  H                                                -0.005119000000      1.777267000000      1.039014000000
  H                                                 2.614024000000      0.975209000000      0.551137000000
 Recover connectivity data from disk.
 After GenITR:
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     14 NQM=       14 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          32          12          14          12          16          16           1           1           1
 AtmWgt=  12.0000000  31.9720718  12.0000000  14.0030740  12.0000000  15.9949146  15.9949146   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           2           0           0           0           1           1           1
 AtZEff=   3.6000000  13.6000000   3.6000000   4.5500000   3.6000000   5.6000000   5.6000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   2.0440000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.4037610   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000  16.0000000   6.0000000   7.0000000   6.0000000   8.0000000   8.0000000   1.0000000   1.0000000   1.0000000

  Atom        11          12          13          14
 IAtWgt=           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000
 No MM parameters found.
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Mon Aug 16 21:19:54 2021, MaxMem=  5637144576 cpu:               1.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.841982   -0.630213    0.360459
      2         16           0        2.547171   -0.192191   -0.109995
      3          6           0       -0.225879    0.229919   -0.309856
      4          7           0       -0.226558    1.646777    0.057723
      5          6           0       -1.625290   -0.371631   -0.067003
      6          8           0       -1.831566   -1.553063   -0.022962
      7          8           0       -2.593125    0.543639    0.052246
      8          1           0       -0.077154    0.178374   -1.391781
      9          1           0        0.739207   -0.597147    1.446150
     10          1           0        0.710059   -1.667028    0.057631
     11          1           0       -2.140525    1.414460    0.004453
     12          1           0        0.443329    2.173429   -0.486604
     13          1           0       -0.005119    1.777267    1.039014
     14          1           0        2.614024    0.975209    0.551137
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  S    1.822323   0.000000
     3  C    1.526262   2.812104   0.000000
     4  N    2.533399   3.332192   1.463763   0.000000
     5  C    2.517344   4.176539   1.542463   2.458857   0.000000
     6  O    2.854211   4.586162   2.416519   3.580717   1.200113
     7  O    3.643197   5.195230   2.415242   2.611050   1.337402
     8  H    2.137515   2.944041   1.093315   2.068717   2.110514
     9  H    1.091046   2.419568   2.167715   2.809916   2.816263
    10  H    1.088161   2.361826   2.146959   3.443625   2.673470
    11  H    3.633562   4.956705   2.273279   1.928751   1.860294
    12  H    2.955816   3.188125   2.063083   1.011139   3.306445
    13  H    2.640829   3.422451   2.064575   1.014394   2.909637
    14  H    2.398723   1.343275   3.059708   2.960298   4.490864
                    6          7          8          9         10
     6  O    0.000000
     7  O    2.231992   0.000000
     8  H    2.819486   2.923823   0.000000
     9  H    3.111421   3.787981   3.053151   0.000000
    10  H    2.545455   3.974683   2.475077   1.753134   0.000000
    11  H    2.983689   0.982578   2.781165   3.797092   4.198122
    12  H    4.390541   3.488069   2.251775   3.391043   3.887987
    13  H    3.943957   3.032050   2.910397   2.521433   3.652090
    14  H    5.146360   5.248766   3.413549   2.605435   3.293941
                   11         12         13         14
    11  H    0.000000
    12  H    2.737421   0.000000
    13  H    2.400397   1.638768   0.000000
    14  H    4.805990   2.687853   2.782307   0.000000
 Stoichiometry    C3H7NO2S
 Framework group  C1[X(C3H7NO2S)]
 Deg. of freedom    36
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 7.85D-17
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.841982   -0.630213    0.360459
      2         16           0        2.547171   -0.192191   -0.109995
      3          6           0       -0.225879    0.229919   -0.309856
      4          7           0       -0.226558    1.646777    0.057723
      5          6           0       -1.625290   -0.371631   -0.067003
      6          8           0       -1.831566   -1.553063   -0.022962
      7          8           0       -2.593125    0.543638    0.052246
      8          1           0       -0.077154    0.178374   -1.391781
      9          1           0        0.739207   -0.597147    1.446150
     10          1           0        0.710059   -1.667028    0.057631
     11          1           0       -2.140525    1.414460    0.004453
     12          1           0        0.443329    2.173429   -0.486604
     13          1           0       -0.005119    1.777267    1.039014
     14          1           0        2.614024    0.975209    0.551137
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           4.4961684           1.1702730           0.9600507
 Leave Link  202 at Mon Aug 16 21:19:54 2021, MaxMem=  5637144576 cpu:               0.1 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       8      9     10     11     12     13     14
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      3      5
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       4
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients=  7.0000000000D-04
     Exponent=  1.3570000000D+03 Coefficients=  5.3890000000D-03
     Exponent=  3.0930000000D+02 Coefficients=  2.7406000000D-02
     Exponent=  8.7730000000D+01 Coefficients=  1.0320700000D-01
     Exponent=  2.8560000000D+01 Coefficients=  2.7872300000D-01
     Exponent=  1.0210000000D+01 Coefficients=  4.4854000000D-01
     Exponent=  3.8380000000D+00 Coefficients=  2.7823800000D-01
     Exponent=  7.4660000000D-01 Coefficients=  1.5440000000D-02
     Exponent=  2.2480000000D-01 Coefficients= -2.8640000000D-03
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients= -1.5300000000D-04
     Exponent=  1.3570000000D+03 Coefficients= -1.2080000000D-03
     Exponent=  3.0930000000D+02 Coefficients= -5.9920000000D-03
     Exponent=  8.7730000000D+01 Coefficients= -2.4544000000D-02
     Exponent=  2.8560000000D+01 Coefficients= -6.7459000000D-02
     Exponent=  1.0210000000D+01 Coefficients= -1.5807800000D-01
     Exponent=  3.8380000000D+00 Coefficients= -1.2183100000D-01
     Exponent=  7.4660000000D-01 Coefficients=  5.4900300000D-01
     Exponent=  2.2480000000D-01 Coefficients=  5.7881500000D-01
 S 1 1.00
     Exponent=  2.2480000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.1240000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.3550000000D+01 Coefficients=  3.9919000000D-02
     Exponent=  2.9170000000D+00 Coefficients=  2.1716900000D-01
     Exponent=  7.9730000000D-01 Coefficients=  5.1031900000D-01
     Exponent=  2.1850000000D-01 Coefficients=  4.6221400000D-01
 P 1 1.00
     Exponent=  2.1850000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  5.6110000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.1700000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  2.3000000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       6      7
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       2
 S 12 1.00
     Exponent=  1.1080000000D+05 Coefficients=  2.4763500000D-04
     Exponent=  1.6610000000D+04 Coefficients=  1.9202600000D-03
     Exponent=  3.7810000000D+03 Coefficients=  9.9619200000D-03
     Exponent=  1.0710000000D+03 Coefficients=  4.0297500000D-02
     Exponent=  3.4980000000D+02 Coefficients=  1.2860400000D-01
     Exponent=  1.2630000000D+02 Coefficients=  3.0348000000D-01
     Exponent=  4.9260000000D+01 Coefficients=  4.2143200000D-01
     Exponent=  2.0160000000D+01 Coefficients=  2.3078100000D-01
     Exponent=  5.7200000000D+00 Coefficients=  1.7897100000D-02
     Exponent=  2.1820000000D+00 Coefficients= -2.9751600000D-03
     Exponent=  4.3270000000D-01 Coefficients=  8.4952200000D-04
     Exponent=  1.5700000000D-01 Coefficients= -3.6793600000D-04
 S 12 1.00
     Exponent=  1.1080000000D+05 Coefficients= -6.8703900000D-05
     Exponent=  1.6610000000D+04 Coefficients= -5.2768100000D-04
     Exponent=  3.7810000000D+03 Coefficients= -2.7967100000D-03
     Exponent=  1.0710000000D+03 Coefficients= -1.1265100000D-02
     Exponent=  3.4980000000D+02 Coefficients= -3.8883400000D-02
     Exponent=  1.2630000000D+02 Coefficients= -9.9502500000D-02
     Exponent=  4.9260000000D+01 Coefficients= -1.9974000000D-01
     Exponent=  2.0160000000D+01 Coefficients= -1.2336000000D-01
     Exponent=  5.7200000000D+00 Coefficients=  5.1319400000D-01
     Exponent=  2.1820000000D+00 Coefficients=  6.0712000000D-01
     Exponent=  4.3270000000D-01 Coefficients=  3.9675300000D-02
     Exponent=  1.5700000000D-01 Coefficients= -9.4686400000D-03
 S 12 1.00
     Exponent=  1.1080000000D+05 Coefficients=  1.9907700000D-05
     Exponent=  1.6610000000D+04 Coefficients=  1.5348300000D-04
     Exponent=  3.7810000000D+03 Coefficients=  8.0950300000D-04
     Exponent=  1.0710000000D+03 Coefficients=  3.2897400000D-03
     Exponent=  3.4980000000D+02 Coefficients=  1.1296700000D-02
     Exponent=  1.2630000000D+02 Coefficients=  2.9638500000D-02
     Exponent=  4.9260000000D+01 Coefficients=  5.9985100000D-02
     Exponent=  2.0160000000D+01 Coefficients=  4.1324800000D-02
     Exponent=  5.7200000000D+00 Coefficients= -2.0747400000D-01
     Exponent=  2.1820000000D+00 Coefficients= -3.9288900000D-01
     Exponent=  4.3270000000D-01 Coefficients=  6.3284000000D-01
     Exponent=  1.5700000000D-01 Coefficients=  5.5692400000D-01
 S 1 1.00
     Exponent=  1.5700000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  5.0700000000D-02 Coefficients=  1.0000000000D+00
 P 8 1.00
     Exponent=  3.9970000000D+02 Coefficients=  4.4754100000D-03
     Exponent=  9.4190000000D+01 Coefficients=  3.4170800000D-02
     Exponent=  2.9750000000D+01 Coefficients=  1.4425000000D-01
     Exponent=  1.0770000000D+01 Coefficients=  3.5392800000D-01
     Exponent=  4.1190000000D+00 Coefficients=  4.5908500000D-01
     Exponent=  1.6250000000D+00 Coefficients=  2.0638300000D-01
     Exponent=  4.7260000000D-01 Coefficients=  1.0214100000D-02
     Exponent=  1.4070000000D-01 Coefficients= -6.0312200000D-05
 P 8 1.00
     Exponent=  3.9970000000D+02 Coefficients= -1.1625100000D-03
     Exponent=  9.4190000000D+01 Coefficients= -8.6566400000D-03
     Exponent=  2.9750000000D+01 Coefficients= -3.9088600000D-02
     Exponent=  1.0770000000D+01 Coefficients= -9.3462500000D-02
     Exponent=  4.1190000000D+00 Coefficients= -1.4799400000D-01
     Exponent=  1.6250000000D+00 Coefficients=  3.0190400000D-02
     Exponent=  4.7260000000D-01 Coefficients=  5.6157300000D-01
     Exponent=  1.4070000000D-01 Coefficients=  5.3477600000D-01
 P 1 1.00
     Exponent=  1.4070000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  3.9900000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  4.7900000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  33 primitive shells out of 282 were deleted.
 There are   242 symmetry adapted cartesian basis functions of A   symmetry.
 There are   228 symmetry adapted basis functions of A   symmetry.
   228 basis functions,   447 primitive gaussians,   242 cartesian basis functions
    32 alpha electrons       32 beta electrons
       nuclear repulsion energy       374.2750386855 Hartrees.
 IExCor=11009 DFT=T Ex=LC-PBE+HF Corr=PBE ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.336000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 DFx  wShort=  0.000000 wLong=  0.336000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   14 NActive=   14 NUniq=   14 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Mon Aug 16 21:19:56 2021, MaxMem=  5637144576 cpu:              11.1 elap:               1.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   228 RedAO= T EigKep=  1.66D-05  NBF=   228
 NBsUse=   228 1.00D-06 EigRej= -1.00D+00 NBFU=   228
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   242   242   242   242   242 MxSgAt=    14 MxSgA2=    14.
 Leave Link  302 at Mon Aug 16 21:19:56 2021, MaxMem=  5637144576 cpu:               1.8 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Mon Aug 16 21:19:56 2021, MaxMem=  5637144576 cpu:               0.5 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "11_L-cysteine_conformer07_STD_LCPBE_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000   -0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Mon Aug 16 21:19:56 2021, MaxMem=  5637144576 cpu:               1.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5637144576 LenX=  5637023126 LenY=  5636964121
 Requested convergence on RMS density matrix=1.00D-08 within 200 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -720.707291724982    
 DIIS: error= 6.68D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -720.707291724982     IErMin= 1 ErrMin= 6.68D-03
 ErrMax= 6.68D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.12D-02 BMatP= 1.12D-02
 IDIUse=3 WtCom= 9.33D-01 WtEn= 6.68D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.418 Goal=   None    Shift=    0.000
 GapD=    0.418 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=6.20D-03 MaxDP=1.95D-01              OVMax= 1.87D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  6.19D-03    CP:  9.89D-01
 E= -720.716392737243     Delta-E=       -0.009101012261 Rises=F Damp=F
 DIIS: error= 1.53D-03 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -720.716392737243     IErMin= 2 ErrMin= 1.53D-03
 ErrMax= 1.53D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.36D-03 BMatP= 1.12D-02
 IDIUse=3 WtCom= 9.85D-01 WtEn= 1.53D-02
 Coeff-Com:  0.129D+00 0.871D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.127D+00 0.873D+00
 Gap=     0.378 Goal=   None    Shift=    0.000
 RMSDP=9.05D-04 MaxDP=3.85D-02 DE=-9.10D-03 OVMax= 1.15D-02

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  6.57D-04    CP:  9.87D-01  1.10D+00
 E= -720.716789901285     Delta-E=       -0.000397164042 Rises=F Damp=F
 DIIS: error= 1.36D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -720.716789901285     IErMin= 3 ErrMin= 1.36D-03
 ErrMax= 1.36D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.13D-03 BMatP= 1.36D-03
 IDIUse=3 WtCom= 9.86D-01 WtEn= 1.36D-02
 Coeff-Com: -0.385D-01 0.481D+00 0.558D+00
 Coeff-En:   0.000D+00 0.381D+00 0.619D+00
 Coeff:     -0.379D-01 0.479D+00 0.559D+00
 Gap=     0.376 Goal=   None    Shift=    0.000
 RMSDP=3.29D-04 MaxDP=1.25D-02 DE=-3.97D-04 OVMax= 5.77D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  2.30D-04    CP:  9.87D-01  1.14D+00  1.01D+00
 E= -720.717572819448     Delta-E=       -0.000782918163 Rises=F Damp=F
 DIIS: error= 1.28D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -720.717572819448     IErMin= 4 ErrMin= 1.28D-04
 ErrMax= 1.28D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.51D-05 BMatP= 1.13D-03
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.28D-03
 Coeff-Com: -0.137D-01 0.752D-01 0.133D+00 0.805D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.137D-01 0.751D-01 0.133D+00 0.805D+00
 Gap=     0.376 Goal=   None    Shift=    0.000
 RMSDP=9.57D-05 MaxDP=5.76D-03 DE=-7.83D-04 OVMax= 1.56D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  4.78D-05    CP:  9.87D-01  1.14D+00  1.11D+00  1.11D+00
 E= -720.717586163756     Delta-E=       -0.000013344308 Rises=F Damp=F
 DIIS: error= 8.12D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -720.717586163756     IErMin= 5 ErrMin= 8.12D-05
 ErrMax= 8.12D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.39D-06 BMatP= 1.51D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.575D-03-0.557D-01-0.404D-01 0.445D+00 0.650D+00
 Coeff:      0.575D-03-0.557D-01-0.404D-01 0.445D+00 0.650D+00
 Gap=     0.376 Goal=   None    Shift=    0.000
 RMSDP=4.23D-05 MaxDP=2.62D-03 DE=-1.33D-05 OVMax= 8.06D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  2.15D-05    CP:  9.87D-01  1.15D+00  1.15D+00  1.19D+00  1.13D+00
 E= -720.717592673542     Delta-E=       -0.000006509787 Rises=F Damp=F
 DIIS: error= 1.92D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -720.717592673542     IErMin= 6 ErrMin= 1.92D-05
 ErrMax= 1.92D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.29D-07 BMatP= 7.39D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.151D-02-0.260D-01-0.266D-01 0.893D-01 0.231D+00 0.731D+00
 Coeff:      0.151D-02-0.260D-01-0.266D-01 0.893D-01 0.231D+00 0.731D+00
 Gap=     0.376 Goal=   None    Shift=    0.000
 RMSDP=1.07D-05 MaxDP=6.20D-04 DE=-6.51D-06 OVMax= 2.31D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  6.99D-06    CP:  9.87D-01  1.15D+00  1.16D+00  1.21D+00  1.22D+00
                    CP:  1.22D+00
 E= -720.717593082110     Delta-E=       -0.000000408567 Rises=F Damp=F
 DIIS: error= 6.75D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -720.717593082110     IErMin= 7 ErrMin= 6.75D-06
 ErrMax= 6.75D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.47D-08 BMatP= 3.29D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.340D-03 0.179D-03-0.211D-02-0.365D-01-0.227D-01 0.212D+00
 Coeff-Com:  0.849D+00
 Coeff:      0.340D-03 0.179D-03-0.211D-02-0.365D-01-0.227D-01 0.212D+00
 Coeff:      0.849D+00
 Gap=     0.376 Goal=   None    Shift=    0.000
 RMSDP=5.14D-06 MaxDP=2.69D-04 DE=-4.09D-07 OVMax= 1.09D-04

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  2.42D-06    CP:  9.87D-01  1.15D+00  1.16D+00  1.21D+00  1.27D+00
                    CP:  1.35D+00  1.23D+00
 E= -720.717593143369     Delta-E=       -0.000000061259 Rises=F Damp=F
 DIIS: error= 2.39D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -720.717593143369     IErMin= 8 ErrMin= 2.39D-06
 ErrMax= 2.39D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.10D-09 BMatP= 3.47D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.547D-04 0.285D-02 0.223D-02-0.214D-01-0.315D-01-0.106D-01
 Coeff-Com:  0.264D+00 0.794D+00
 Coeff:     -0.547D-04 0.285D-02 0.223D-02-0.214D-01-0.315D-01-0.106D-01
 Coeff:      0.264D+00 0.794D+00
 Gap=     0.376 Goal=   None    Shift=    0.000
 RMSDP=1.80D-06 MaxDP=8.96D-05 DE=-6.13D-08 OVMax= 3.53D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  8.84D-07    CP:  9.87D-01  1.15D+00  1.16D+00  1.21D+00  1.28D+00
                    CP:  1.39D+00  1.33D+00  1.22D+00
 E= -720.717593150359     Delta-E=       -0.000000006990 Rises=F Damp=F
 DIIS: error= 7.99D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -720.717593150359     IErMin= 9 ErrMin= 7.99D-07
 ErrMax= 7.99D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.67D-10 BMatP= 4.10D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.524D-04 0.866D-03 0.943D-03-0.274D-02-0.727D-02-0.285D-01
 Coeff-Com: -0.200D-01 0.238D+00 0.819D+00
 Coeff:     -0.524D-04 0.866D-03 0.943D-03-0.274D-02-0.727D-02-0.285D-01
 Coeff:     -0.200D-01 0.238D+00 0.819D+00
 Gap=     0.376 Goal=   None    Shift=    0.000
 RMSDP=6.76D-07 MaxDP=2.85D-05 DE=-6.99D-09 OVMax= 1.50D-05

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  2.34D-07    CP:  9.87D-01  1.15D+00  1.16D+00  1.21D+00  1.28D+00
                    CP:  1.40D+00  1.37D+00  1.36D+00  1.21D+00
 E= -720.717593151265     Delta-E=       -0.000000000906 Rises=F Damp=F
 DIIS: error= 2.08D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -720.717593151265     IErMin=10 ErrMin= 2.08D-07
 ErrMax= 2.08D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.39D-11 BMatP= 4.67D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.186D-05-0.216D-03-0.124D-03 0.213D-02 0.283D-02-0.246D-02
 Coeff-Com: -0.315D-01-0.604D-01 0.106D+00 0.984D+00
 Coeff:     -0.186D-05-0.216D-03-0.124D-03 0.213D-02 0.283D-02-0.246D-02
 Coeff:     -0.315D-01-0.604D-01 0.106D+00 0.984D+00
 Gap=     0.376 Goal=   None    Shift=    0.000
 RMSDP=2.28D-07 MaxDP=1.50D-05 DE=-9.06D-10 OVMax= 6.41D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  8.08D-08    CP:  9.87D-01  1.15D+00  1.16D+00  1.21D+00  1.28D+00
                    CP:  1.40D+00  1.38D+00  1.40D+00  1.36D+00  1.23D+00
 E= -720.717593151381     Delta-E=       -0.000000000116 Rises=F Damp=F
 DIIS: error= 7.59D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -720.717593151381     IErMin=11 ErrMin= 7.59D-08
 ErrMax= 7.59D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.35D-12 BMatP= 3.39D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.412D-05-0.117D-03-0.106D-03 0.711D-03 0.126D-02 0.163D-02
 Coeff-Com: -0.540D-02-0.328D-01-0.453D-01 0.220D+00 0.860D+00
 Coeff:      0.412D-05-0.117D-03-0.106D-03 0.711D-03 0.126D-02 0.163D-02
 Coeff:     -0.540D-02-0.328D-01-0.453D-01 0.220D+00 0.860D+00
 Gap=     0.376 Goal=   None    Shift=    0.000
 RMSDP=4.93D-08 MaxDP=2.59D-06 DE=-1.16D-10 OVMax= 2.03D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  2.75D-08    CP:  9.87D-01  1.15D+00  1.16D+00  1.21D+00  1.28D+00
                    CP:  1.40D+00  1.38D+00  1.40D+00  1.39D+00  1.33D+00
                    CP:  1.17D+00
 E= -720.717593151403     Delta-E=       -0.000000000022 Rises=F Damp=F
 DIIS: error= 3.05D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -720.717593151403     IErMin=12 ErrMin= 3.05D-08
 ErrMax= 3.05D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.48D-13 BMatP= 4.35D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.142D-05 0.459D-05-0.955D-05-0.182D-03-0.148D-03 0.886D-03
 Coeff-Com:  0.399D-02 0.177D-02-0.314D-01-0.111D+00 0.239D+00 0.898D+00
 Coeff:      0.142D-05 0.459D-05-0.955D-05-0.182D-03-0.148D-03 0.886D-03
 Coeff:      0.399D-02 0.177D-02-0.314D-01-0.111D+00 0.239D+00 0.898D+00
 Gap=     0.376 Goal=   None    Shift=    0.000
 RMSDP=1.78D-08 MaxDP=7.20D-07 DE=-2.23D-11 OVMax= 1.08D-06

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  1.16D-08    CP:  9.87D-01  1.15D+00  1.16D+00  1.21D+00  1.28D+00
                    CP:  1.40D+00  1.38D+00  1.40D+00  1.39D+00  1.35D+00
                    CP:  1.30D+00  1.12D+00
 E= -720.717593151403     Delta-E=        0.000000000000 Rises=F Damp=F
 DIIS: error= 1.26D-08 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=12 EnMin= -720.717593151403     IErMin=13 ErrMin= 1.26D-08
 ErrMax= 1.26D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.53D-14 BMatP= 8.48D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.441D-06 0.179D-04 0.143D-04-0.127D-03-0.199D-03-0.674D-04
 Coeff-Com:  0.127D-02 0.475D-02 0.180D-02-0.443D-01-0.829D-01 0.104D+00
 Coeff-Com:  0.102D+01
 Coeff:     -0.441D-06 0.179D-04 0.143D-04-0.127D-03-0.199D-03-0.674D-04
 Coeff:      0.127D-02 0.475D-02 0.180D-02-0.443D-01-0.829D-01 0.104D+00
 Coeff:      0.102D+01
 Gap=     0.376 Goal=   None    Shift=    0.000
 RMSDP=7.71D-09 MaxDP=3.40D-07 DE= 0.00D+00 OVMax= 4.27D-07

 SCF Done:  E(RLC-PBE+HF-PBE) =  -720.717593151     A.U. after   13 cycles
            NFock= 13  Conv=0.77D-08     -V/T= 2.0035
 KE= 7.182254255846D+02 PE=-2.451317565471D+03 EE= 6.380995080490D+02
 Leave Link  502 at Mon Aug 16 21:20:54 2021, MaxMem=  5637144576 cpu:             458.9 elap:              57.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   228
 NBasis=   228 NAE=    32 NBE=    32 NFC=     0 NFV=     0
 NROrb=    228 NOA=    32 NOB=    32 NVA=   196 NVB=   196

 **** Warning!!: The largest alpha MO coefficient is  0.55444229D+02

 Leave Link  801 at Mon Aug 16 21:20:54 2021, MaxMem=  5637144576 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         4320 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5637144576 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          14
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.05D-13 8.33D-09 XBig12= 1.00D+00 2.06D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.05D-13 8.33D-09 XBig12= 1.85D-01 6.03D-02.
     11 vectors produced by pass  2 Test12= 1.05D-13 8.33D-09 XBig12= 2.86D-02 3.34D-02.
     11 vectors produced by pass  3 Test12= 1.05D-13 8.33D-09 XBig12= 3.14D-03 9.90D-03.
     11 vectors produced by pass  4 Test12= 1.05D-13 8.33D-09 XBig12= 2.45D-04 2.97D-03.
     11 vectors produced by pass  5 Test12= 1.05D-13 8.33D-09 XBig12= 7.75D-06 3.50D-04.
     11 vectors produced by pass  6 Test12= 1.05D-13 8.33D-09 XBig12= 2.27D-07 6.62D-05.
     11 vectors produced by pass  7 Test12= 1.05D-13 8.33D-09 XBig12= 5.60D-09 8.65D-06.
     11 vectors produced by pass  8 Test12= 1.05D-13 8.33D-09 XBig12= 1.08D-10 1.20D-06.
     10 vectors produced by pass  9 Test12= 1.05D-13 8.33D-09 XBig12= 1.63D-12 1.44D-07.
      5 vectors produced by pass 10 Test12= 1.05D-13 8.33D-09 XBig12= 2.55D-14 1.87D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 1.78D-14
 Solved reduced A of dimension   114 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.914573D+02
      2  0.461853D+00  0.774721D+02
      3 -0.715952D+00 -0.602715D+00  0.604517D+02
 Isotropic polarizability for W=    0.088559       76.46 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.832188D+02 -0.410783D+01 -0.126223D+01
      2  -0.506500D+02  0.639104D+01  0.152155D+01
      3  -0.325688D+02 -0.228320D+01 -0.259318D+00
      4   0.658908D+01  0.101901D+02 -0.957464D+00
      5   0.351556D+01 -0.297393D+01  0.593244D+02
      6   0.127005D+01  0.533463D+01  0.112187D+02
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.231610D+01 -0.311524D+01 -0.269665D+01
      2   0.238125D+01 -0.796100D+00  0.317533D+02
      3  -0.744124D+00 -0.127291D+02  0.320882D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.201646D+01  0.381307D+01 -0.135019D+02
      2  -0.477779D+01 -0.222751D+01  0.918932D+02
      3   0.106969D+02 -0.608401D+02  0.424398D+01
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1   0.702245D+00  0.629078D-01  0.509566D+00
      2   0.629078D-01 -0.110517D+00 -0.874413D+00
      3   0.509566D+00 -0.874413D+00 -0.495106D+00
 OR G Eigenvalues:    -1.2954     0.4132     0.9788  Iso=    -0.0322
 Eigenvectors:
   (1)  -0.217406   0.587032   0.779825
   (2)   0.546762   0.735067  -0.400909
   (3)   0.808570  -0.339218   0.480775
 w=    0.088559 a.u., Optical Rotation Beta=     -0.0322 au.
 Molar Mass =    121.1538 grams/mole, [Alpha] ( 5145.0 A) =      -13.48 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   26106 ScalPx= 7.06D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   26106 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 2.77D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 1.74D-14 2.78D-09 XBig12= 1.00D+00 3.62D-01.
     30 vectors produced by pass  1 Test12= 1.74D-14 2.78D-09 XBig12= 3.67D-02 3.71D-02.
     30 vectors produced by pass  2 Test12= 1.74D-14 2.78D-09 XBig12= 7.61D-04 3.36D-03.
     30 vectors produced by pass  3 Test12= 1.74D-14 2.78D-09 XBig12= 1.05D-05 4.65D-04.
     30 vectors produced by pass  4 Test12= 1.74D-14 2.78D-09 XBig12= 1.12D-07 3.92D-05.
     30 vectors produced by pass  5 Test12= 1.74D-14 2.78D-09 XBig12= 1.12D-09 3.31D-06.
     30 vectors produced by pass  6 Test12= 1.74D-14 2.78D-09 XBig12= 8.57D-12 3.30D-07.
     30 vectors produced by pass  7 Test12= 1.74D-14 2.78D-09 XBig12= 6.72D-14 2.96D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 1.78D-15
 Solved reduced A of dimension   240 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   26106 ScalPx= 2.97D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   26106 ScalPx= 2.97D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   26106 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 2.53D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.914573D+02  0.461853D+00 -0.715952D+00
      2   0.461853D+00  0.774721D+02 -0.602715D+00
      3  -0.715952D+00 -0.602715D+00  0.604517D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.231610D+01 -0.311524D+01 -0.269665D+01
      2   0.238125D+01 -0.796100D+00  0.317533D+02
      3  -0.744124D+00 -0.127291D+02  0.320882D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.832188D+02 -0.410783D+01 -0.126223D+01
      2  -0.506500D+02  0.639104D+01  0.152155D+01
      3  -0.325688D+02 -0.228320D+01 -0.259318D+00
      4   0.658908D+01  0.101901D+02 -0.957464D+00
      5   0.351556D+01 -0.297393D+01  0.593244D+02
      6   0.127005D+01  0.533463D+01  0.112187D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    42 ND12= 1 LenFil=    1515:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.762729D+01 -0.231551D+01  0.146091D+01 -0.347245D+01  0.910118D+00
      2  -0.231551D+01  0.407500D+00  0.431438D+00  0.910118D+00  0.312802D+01
      3   0.146091D+01  0.431438D+00 -0.672665D+00 -0.462311D-01  0.114195D+01
                 6             7             8             9            10 
      1  -0.462311D-01  0.313453D+01 -0.433972D+00  0.145168D+01  0.155097D+02
      2   0.114195D+01 -0.433972D+00  0.132793D+01  0.758130D+00  0.193847D+00
      3  -0.172175D+00  0.145168D+01  0.758130D+00 -0.584624D+01 -0.207278D+01
                11            12            13            14            15 
      1   0.193847D+00 -0.207278D+01 -0.402808D+00  0.228586D+01 -0.206750D+00
      2   0.922081D+00 -0.573007D+00  0.228586D+01 -0.532544D+01 -0.319311D+01
      3  -0.573007D+00  0.238043D+01 -0.206750D+00 -0.319311D+01 -0.239050D+01
                16            17            18            19            20 
      1  -0.387912D+01 -0.513846D-01  0.371060D+01  0.298773D+01  0.253361D+01
      2  -0.513846D-01 -0.356702D+01 -0.160404D+01  0.253361D+01 -0.941626D+00
      3   0.371060D+01 -0.160404D+01 -0.199641D+01  0.207126D-01  0.453240D+00
                21            22            23            24            25 
      1   0.207126D-01  0.428831D+01  0.251209D+00 -0.159036D+00 -0.154871D+01
      2   0.453240D+00  0.251209D+00 -0.214449D+01 -0.630793D+00  0.111535D+01
      3  -0.681654D+00 -0.159036D+00 -0.630793D+00  0.687094D+00 -0.638256D+00
                26            27            28            29            30 
      1   0.111535D+01 -0.638256D+00 -0.186226D+01 -0.137712D+01  0.995257D+00
      2  -0.968013D+00  0.210963D+00 -0.137712D+01 -0.215280D+01  0.664990D-01
      3   0.210963D+00  0.552610D+01  0.995257D+00  0.664990D-01 -0.139340D+01
                31            32            33            34            35 
      1  -0.152546D+01 -0.223947D+01  0.379767D+00  0.154225D+01  0.125759D+00
      2  -0.223947D+01  0.381598D+01  0.498786D+00  0.125759D+00  0.526033D+00
      3   0.379767D+00  0.498786D+00 -0.102871D+01 -0.151774D+01 -0.942035D+00
                36            37            38            39            40 
      1  -0.151774D+01 -0.356679D+01 -0.218230D+01 -0.246495D+00 -0.157535D+01
      2  -0.942035D+00 -0.218230D+01  0.106785D+01 -0.685125D-02  0.245034D+01
      3  -0.369083D+01 -0.246495D+00 -0.685125D-02 -0.371124D+00 -0.133042D+00
                41            42            43            44            45 
      1   0.245034D+01 -0.133042D+00  0.323110D+00 -0.145033D+00 -0.222730D+00
      2   0.624953D+01 -0.451702D-01 -0.145033D+00  0.376506D+00  0.258107D+00
      3  -0.451702D-01  0.274051D+00 -0.222730D+00  0.258107D+00 -0.270723D+00
                46            47            48            49            50 
      1  -0.160848D+01 -0.317777D+01  0.649498D-01 -0.427657D+01 -0.295601D+01
      2  -0.317777D+01 -0.249297D+01 -0.153114D+00 -0.295601D+01 -0.131792D+02
      3   0.649498D-01 -0.153114D+00 -0.123025D+00  0.337639D-01  0.455260D-01
                51            52            53            54            55 
      1   0.337639D-01 -0.892938D-01  0.268519D-01 -0.108118D+01 -0.864854D+01
      2   0.455260D-01  0.268519D-01  0.161735D+00 -0.316533D+01  0.192423D+01
      3  -0.228768D+01 -0.108118D+01 -0.316533D+01  0.213199D+00  0.232476D+00
                56            57            58            59            60 
      1   0.192423D+01  0.232476D+00 -0.158410D+01 -0.387593D+01 -0.105186D+00
      2  -0.227170D+01 -0.203465D+00 -0.387593D+01 -0.112708D+01  0.146962D+00
      3  -0.203465D+00 -0.981395D+00 -0.105186D+00  0.146962D+00  0.473525D+00
                61            62            63            64            65 
      1   0.104023D+01 -0.207249D-01 -0.194656D+01  0.401753D+00 -0.543901D+00
      2  -0.207249D-01  0.103803D+00  0.117550D+01 -0.543901D+00  0.298736D+00
      3  -0.194656D+01  0.117550D+01  0.457051D+00 -0.888861D+00 -0.575348D-01
                66            67            68            69            70 
      1  -0.888861D+00 -0.113387D+01  0.950170D-01  0.825101D-01 -0.194800D+01
      2  -0.575348D-01  0.950170D-01  0.463529D+00 -0.954534D+00 -0.168811D+00
      3   0.827229D+00  0.825101D-01 -0.954534D+00 -0.285038D+00  0.185660D+00
                71            72            73            74            75 
      1  -0.168811D+00  0.185660D+00  0.426225D-01  0.130394D+00  0.873673D+00
      2  -0.138490D+01 -0.172346D-01  0.130394D+00 -0.103185D+00 -0.398222D-01
      3  -0.172346D-01 -0.712333D+01  0.873673D+00 -0.398222D-01 -0.562039D+00
                76            77            78            79            80 
      1   0.920549D+00 -0.279780D+00 -0.121792D+00  0.278162D+01  0.152558D+00
      2  -0.279780D+00 -0.632420D+00  0.842886D+00  0.152558D+00  0.124332D+01
      3  -0.121792D+00  0.842886D+00  0.217415D+00 -0.150507D+01 -0.121809D+01
                81            82            83            84            85 
      1  -0.150507D+01 -0.382114D+00 -0.515423D+00 -0.532491D+00 -0.200288D+01
      2  -0.121809D+01 -0.515423D+00 -0.575947D-01 -0.194416D-01 -0.614456D+00
      3   0.743819D+01 -0.532491D+00 -0.194416D-01 -0.753627D-01 -0.104088D+00
                86            87            88            89            90 
      1  -0.614456D+00 -0.104088D+00 -0.170120D+01 -0.207193D+00 -0.266851D+00
      2  -0.727356D+01 -0.591077D+00 -0.207193D+00 -0.136662D+01 -0.110649D+01
      3  -0.591077D+00 -0.109905D+01 -0.266851D+00 -0.110649D+01 -0.143190D+00
                91            92            93            94            95 
      1   0.165070D+01  0.190536D+01 -0.956262D-01  0.490025D+01  0.722071D-01
      2   0.190536D+01  0.510912D+00  0.124265D+00  0.722071D-01  0.477995D+01
      3  -0.956262D-01  0.124265D+00 -0.416336D+00 -0.192950D-02  0.369747D-01
                96            97            98            99           100 
      1  -0.192950D-02 -0.306220D+00 -0.645179D-01 -0.690586D+00  0.251497D+01
      2   0.369747D-01 -0.645179D-01 -0.170773D+00  0.561534D+00  0.170294D+01
      3   0.900430D+00 -0.690586D+00  0.561534D+00 -0.361820D-01 -0.815075D+00
               101           102           103           104           105 
      1   0.170294D+01 -0.815075D+00  0.256138D+01  0.195037D+01 -0.686876D+00
      2   0.302292D+01 -0.809938D+00  0.195037D+01  0.347411D+01 -0.853894D+00
      3  -0.809938D+00  0.112517D+01 -0.686876D+00 -0.853894D+00  0.113602D+01
               106           107           108           109           110 
      1  -0.228390D+01 -0.924147D+00  0.912518D+00 -0.199436D+00  0.499994D+00
      2  -0.924147D+00 -0.200132D+01  0.135298D+01  0.499994D+00  0.453689D+00
      3   0.912518D+00  0.135298D+01 -0.146086D+01  0.369083D+00  0.592809D+00
               111           112           113           114           115 
      1   0.369083D+00  0.603437D+00  0.229642D+00  0.385564D+00  0.169546D+01
      2   0.592809D+00  0.229642D+00  0.129652D+01  0.788412D+00  0.195700D+00
      3   0.562915D+00  0.385564D+00  0.788412D+00  0.968962D+00  0.949925D+00
               116           117           118           119           120 
      1   0.195700D+00  0.949925D+00  0.787412D+00  0.122166D+01  0.634271D+00
      2   0.236590D+01  0.193496D+01  0.122166D+01  0.133620D+01  0.194921D+00
      3   0.193496D+01  0.567278D+01  0.634271D+00  0.194921D+00  0.381265D+00
               121           122           123           124           125 
      1   0.269956D+01  0.172088D+01  0.683325D+00  0.123924D+01  0.399569D+00
      2   0.172088D+01  0.647457D+01  0.276708D+01  0.399569D+00  0.335342D+01
      3   0.683325D+00  0.276708D+01  0.260565D+01  0.658603D+00  0.180105D+01
               126 
      1   0.658603D+00
      2   0.180105D+01
      3   0.126046D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.146465D+01 -0.160741D+01  0.755697D+00 -0.863318D+00  0.563092D+01
      2   0.432307D+01  0.151937D+01 -0.201312D+01 -0.234486D+00  0.991530D+00
      3   0.462793D+01  0.219645D+01 -0.256998D+01  0.116059D+02 -0.359325D+01
                 6             7             8             9            10 
      1  -0.235631D+01  0.259658D+01  0.311102D+01 -0.457276D+01 -0.280855D-01
      2  -0.156066D+01 -0.957855D+01 -0.275838D+00 -0.232808D+01 -0.935696D+01
      3  -0.217987D+01 -0.151997D+01 -0.779152D+00 -0.137690D+01 -0.832959D+01
                11            12            13            14            15 
      1   0.213608D+01  0.974663D+00  0.227383D+01 -0.865885D+00 -0.579723D+01
      2  -0.171650D+01  0.118412D+02  0.157417D+00 -0.970005D+01 -0.803703D+01
      3  -0.773732D+01  0.228574D+01  0.912008D+01  0.167924D+02  0.970790D+01
                16            17            18            19            20 
      1   0.320061D+01  0.964634D+01  0.436281D+00 -0.204420D+01  0.580706D+00
      2  -0.575233D+01 -0.475358D+01 -0.431441D+01  0.342806D+01 -0.122966D+01
      3  -0.188321D+01  0.106894D+02  0.266623D+01  0.500834D+01 -0.664507D+01
                21            22            23            24            25 
      1  -0.867054D+00  0.101051D+01  0.512621D-02 -0.334385D+00 -0.211376D+01
      2   0.357133D+01  0.130974D+01 -0.248193D+01  0.325379D+01 -0.273340D+01
      3   0.683798D+00 -0.276507D+01 -0.273523D+01  0.493761D+00  0.968816D+00
                26            27            28            29            30 
      1   0.401431D+01 -0.809113D-01 -0.290361D+01 -0.827818D+00  0.448633D+01
      2   0.384981D+00 -0.428329D+01 -0.165483D+01  0.188935D+01  0.521897D+01
      3   0.162136D+01 -0.777158D-01 -0.587263D+01 -0.110886D+02  0.155382D+01
                31            32            33            34            35 
      1  -0.219756D+01 -0.299401D+01 -0.224922D+01  0.433180D+01  0.647846D+01
      2   0.330202D+00  0.105626D+01 -0.119765D+01 -0.202734D+01 -0.372830D+00
      3   0.834618D+00  0.227411D+00  0.879957D+00  0.461595D+01  0.225002D+00
                36            37            38            39            40 
      1   0.768904D+01  0.120279D+01  0.797724D+00 -0.831570D-01  0.171473D+01
      2   0.316345D+01 -0.383981D+01  0.120952D+00 -0.630430D+01 -0.129463D+01
      3  -0.427129D+01 -0.671760D+01  0.111013D+01 -0.209650D+00  0.699064D+00
                41            42            43            44            45 
      1   0.343256D+00  0.937349D+01  0.258701D+00  0.962235D+01 -0.284254D+00
      2   0.167596D+01 -0.211584D+01 -0.185495D+02 -0.211673D+01  0.339289D+01
      3   0.118780D+02 -0.134039D+01  0.297583D+01 -0.172918D+01  0.119949D+01
                46            47            48            49            50 
      1   0.162091D+00  0.236584D-01 -0.254533D+01 -0.721062D-01  0.896012D+00
      2  -0.116967D+00  0.281050D-01  0.515702D+01 -0.947644D+00 -0.103326D+01
      3  -0.193696D+01 -0.605202D+01 -0.502202D-01  0.103627D+02 -0.230789D+02
                51            52            53            54            55 
      1  -0.109788D+02 -0.617300D+00  0.771657D+00  0.541876D+00 -0.880506D+00
      2   0.537206D+01  0.296682D+01  0.587506D+01 -0.109195D+01 -0.187861D+00
      3   0.578376D+00 -0.184340D+01  0.480446D+00 -0.559467D+01 -0.402595D+01
                56            57            58            59            60 
      1  -0.264621D+00  0.284020D+01  0.138699D+00 -0.253547D+00 -0.382441D+01
      2  -0.140664D+00  0.966879D+01  0.102464D+01 -0.145274D+00 -0.159439D+01
      3  -0.168758D+02  0.129199D+00 -0.131351D+02 -0.892739D+01 -0.106961D+00
                61            62            63            64            65 
      1   0.401000D+00  0.201550D+01 -0.349431D+00  0.510782D+00 -0.808630D+00
      2   0.637559D+01 -0.121013D+01 -0.208639D+01  0.201608D+01 -0.201502D+00
      3  -0.389673D+00  0.190544D+01  0.230771D+01  0.376654D+00 -0.298489D+00
                66            67            68            69            70 
      1   0.167868D+00 -0.449959D+00 -0.461894D+00 -0.381061D+00  0.270082D+00
      2   0.156094D+00 -0.303482D+00  0.589511D+00 -0.136613D+00 -0.306877D+01
      3  -0.185199D+00  0.185389D+01  0.871689D-01 -0.340191D-01 -0.413324D+00
                71            72            73            74            75 
      1   0.260252D+01  0.116632D+01  0.728526D+00 -0.835939D+00 -0.809694D+00
      2  -0.344593D-01  0.251152D+01  0.179741D+01 -0.381335D+00  0.189029D+01
      3  -0.457503D+00  0.815882D+00  0.201330D+00 -0.180244D+01 -0.342314D+00
                76            77            78            79            80 
      1  -0.576114D+00  0.318413D+00 -0.237407D+00 -0.199057D+01  0.185010D+01
      2  -0.582902D+00  0.702079D+00  0.171500D+00 -0.456489D+01 -0.749026D+00
      3   0.375980D+00  0.695516D+00 -0.252672D+00 -0.267543D+01 -0.603739D+00
                81            82            83            84            85 
      1   0.654653D+01 -0.833462D+00 -0.924782D-01 -0.454482D+00 -0.176191D+00
      2   0.492562D+01 -0.427635D+00  0.213863D+00  0.957242D+00 -0.365707D-01
      3   0.246313D+01  0.288208D+01 -0.187900D-01  0.746757D+00  0.614817D+01
                86            87            88            89            90 
      1  -0.342801D+01 -0.309783D+01 -0.387216D+00 -0.857832D+00 -0.293599D+00
      2  -0.680299D-01 -0.793294D+00 -0.126158D+01 -0.757132D+00 -0.338260D+00
      3   0.846332D+01  0.827702D+00  0.268012D+01  0.188888D+01  0.135726D+01
                91            92            93            94            95 
      1   0.514893D+00  0.103943D+00  0.926128D+00 -0.468892D-01  0.392778D+00
      2  -0.591457D-01 -0.482036D+00 -0.120259D+01 -0.135287D+00 -0.365791D+00
      3   0.862995D+01  0.899443D+01  0.127183D+00  0.124483D+02  0.179307D+02
                96            97            98            99           100 
      1  -0.112393D+01  0.996635D+00  0.115098D+01  0.305709D+00  0.210172D+01
      2  -0.252559D+01 -0.164019D+01 -0.183710D+01  0.661080D-01  0.201332D+01
      3   0.542219D+00 -0.354783D+00 -0.998105D+00  0.153056D+00  0.925902D+01
               101           102           103           104           105 
      1   0.162941D+01 -0.344398D+01  0.152442D+01  0.183624D+01 -0.257394D+01
      2  -0.314480D+00 -0.248663D-01  0.923124D-01  0.562489D+00  0.556812D+00
      3   0.304191D+01 -0.204865D+01  0.775381D+01  0.451512D+01 -0.192841D+01
               106           107           108           109           110 
      1  -0.267789D+01 -0.116849D+01  0.241690D+01 -0.603127D+00 -0.393594D+00
      2  -0.214825D+01  0.402373D+00 -0.568046D+00 -0.114062D+01  0.886307D-01
      3  -0.666209D+01 -0.231267D+01  0.216069D+01  0.771042D+00  0.809002D+00
               111           112           113           114           115 
      1  -0.189582D+01 -0.515621D+00 -0.175794D+01 -0.257727D+01 -0.298118D+01
      2  -0.436882D+00 -0.117890D+00 -0.634636D+00  0.663565D-01 -0.334748D+01
      3   0.519874D+00  0.216805D+01  0.647914D+00  0.126144D+01  0.392377D+01
               116           117           118           119           120 
      1  -0.201972D+01 -0.120250D+02  0.607532D+00 -0.441022D+00 -0.513664D-01
      2  -0.473181D+00 -0.259077D+01  0.284802D+01  0.304344D+00  0.174698D+01
      3   0.145091D+01  0.363280D+01 -0.510455D+01 -0.437037D+01 -0.339057D+00
               121           122           123           124           125 
      1  -0.140655D+01  0.640087D+00 -0.406783D+01 -0.105656D+01  0.151977D+01
      2   0.738578D+00  0.885114D+01  0.854054D+01 -0.400023D+00  0.568715D+01
      3  -0.174042D+01 -0.226723D+02 -0.880670D+01  0.577402D+00 -0.113811D+02
               126 
      1  -0.179798D+01
      2   0.389928D+01
      3  -0.543568D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.406485D+02 -0.474839D+01  0.481307D+01 -0.144417D+02  0.107127D+02
      2   0.220525D+02  0.266947D+01 -0.368891D+01  0.904743D+01 -0.124118D+02
      3   0.185960D+02  0.207892D+01 -0.112415D+01  0.539428D+01  0.169911D+01
      4   0.272345D+00 -0.420832D+01  0.197853D+01  0.763397D+01  0.150885D+01
      5   0.670144D+01  0.315850D+01 -0.981671D+01 -0.687179D+00  0.189230D+01
      6  -0.414557D+01  0.123696D+01 -0.863116D+00  0.117955D+01 -0.358792D+01
                 6             7             8             9            10 
      1   0.113855D+01  0.109681D+02  0.959951D-01  0.136170D+02  0.943192D+02
      2  -0.270915D+01 -0.877620D+01 -0.262514D+01 -0.162984D+00 -0.520131D+02
      3   0.157060D+01 -0.219194D+01  0.252914D+01 -0.134540D+02 -0.423062D+02
      4   0.112143D+01 -0.260757D+01  0.136101D+01  0.144638D+01 -0.533636D+01
      5  -0.314165D+01  0.603915D+01  0.973445D+00 -0.521917D+01 -0.109747D+02
      6   0.173278D+01 -0.574471D+00  0.144177D+01  0.342645D+01 -0.370823D-01
                11            12            13            14            15 
      1   0.374779D+00 -0.123942D+02  0.361171D+01  0.129258D+01  0.245333D-01
      2  -0.243373D+01  0.550809D+01 -0.640315D+01  0.895803D+01 -0.312531D+01
      3   0.205895D+01  0.688613D+01  0.279144D+01 -0.102506D+02  0.310077D+01
      4   0.161128D+02 -0.433506D+01  0.243460D+02 -0.328895D+02 -0.155762D+02
      5  -0.510693D+01  0.272571D+02 -0.364927D+01 -0.169596D+02 -0.125334D+02
      6   0.450163D+00 -0.113866D+01 -0.199181D+01 -0.611770D+01  0.139998D+02
                16            17            18            19            20 
      1  -0.175908D+02  0.290021D+01  0.353497D+01 -0.897875D+00 -0.240703D+01
      2   0.752219D+01 -0.110412D+01 -0.198266D+02  0.462438D+01  0.120817D+01
      3   0.100686D+02 -0.179609D+01  0.162916D+02 -0.372651D+01  0.119886D+01
      4  -0.346769D+00 -0.170743D+02 -0.103341D+02 -0.557888D+01  0.719559D+01
      5   0.342671D+02 -0.100968D+02 -0.769891D+01  0.277076D+01 -0.128733D+00
      6  -0.370104D+01  0.113576D+02 -0.321293D+01  0.132725D+01 -0.130149D+01
                21            22            23            24            25 
      1  -0.424808D+00  0.765677D+01  0.101737D+01  0.147452D+01 -0.872897D+01
      2  -0.126403D+01 -0.328473D+01 -0.553323D+01 -0.475235D+00  0.402955D+01
      3   0.168884D+01 -0.437203D+01  0.451585D+01 -0.999281D+00  0.469942D+01
      4  -0.558913D+00 -0.713334D+01  0.857903D+01 -0.136746D+01 -0.294308D+01
      5   0.230267D+01 -0.481671D-01 -0.451785D+00  0.391476D+01 -0.132032D+01
      6  -0.124537D+00 -0.250359D+01 -0.530618D+00 -0.231079D+01  0.203220D-01
                26            27            28            29            30 
      1   0.911027D+00  0.550266D+01  0.163874D+02  0.712514D+01  0.664981D+00
      2  -0.368474D+01  0.835178D+01 -0.133855D+02 -0.102587D+02  0.202677D+01
      3   0.277372D+01 -0.138544D+02 -0.300200D+01  0.313352D+01 -0.269175D+01
      4  -0.350603D+00  0.452745D+00 -0.459572D+01 -0.342292D+01  0.291472D+01
      5  -0.303554D+00 -0.209709D+01  0.596912D+00  0.134343D+01  0.510377D+01
      6   0.119518D+01  0.132931D+01  0.496903D+01  0.224957D+01 -0.801007D+01
                31            32            33            34            35 
      1   0.244009D+01 -0.133631D+02 -0.111828D+01 -0.691866D+00  0.157757D+00
      2  -0.791866D+01  0.228387D+02  0.339336D+01  0.227447D+01  0.405986D+01
      3   0.547857D+01 -0.947553D+01 -0.227508D+01 -0.158260D+01 -0.421762D+01
      4   0.316489D+01 -0.131407D+02  0.129618D+01  0.355793D+01  0.126745D+01
      5   0.692247D+00  0.323930D+00 -0.266746D+01  0.417561D+01 -0.246478D+01
      6   0.272505D+01  0.415853D+01  0.160300D+01 -0.817579D+01 -0.194389D+01
                36            37            38            39            40 
      1   0.458768D+01 -0.943162D+01  0.125966D+02 -0.552712D+00 -0.323288D+00
      2  -0.239974D+01  0.307993D+01 -0.117201D+02 -0.153682D+01 -0.513602D+01
      3  -0.218794D+01  0.635170D+01 -0.876477D+00  0.208953D+01  0.545931D+01
      4  -0.653313D+01  0.825606D+01 -0.130040D+02  0.172243D+00 -0.244107D+02
      5   0.175935D+01 -0.860123D+00 -0.444494D+00 -0.842958D+01 -0.213131D+01
      6  -0.123913D+02 -0.626440D+00 -0.290777D+00  0.188588D+01 -0.642203D+00
                41            42            43            44            45 
      1   0.702734D+01  0.203239D+00  0.328383D+01 -0.312853D+01 -0.460946D+01
      2  -0.188042D+02  0.875980D-01 -0.295561D+01  0.215850D+01 -0.629364D+01
      3   0.117768D+02 -0.290837D+00 -0.328212D+00  0.970033D+00  0.109031D+02
      4  -0.289933D+02  0.724973D+00  0.139692D+00  0.258414D+01 -0.257868D+01
      5  -0.106801D-01 -0.176238D+01  0.303541D+01 -0.214186D+01  0.382415D+01
      6  -0.142533D+01 -0.133449D+02 -0.487897D+00  0.363793D+01  0.789343D+00
                46            47            48            49            50 
      1   0.118087D+02  0.666635D+01 -0.354144D+00  0.115133D+02 -0.235802D+02
      2  -0.186830D+01  0.224769D+01  0.521041D+00  0.197936D+01  0.442633D+02
      3  -0.994045D+01 -0.891403D+01 -0.166897D+00 -0.134927D+02 -0.206831D+02
      4   0.191303D+02  0.236752D+02  0.128656D-01  0.276337D+02  0.565576D+02
      5   0.506580D+00  0.314335D+00  0.804159D+01  0.134388D+01  0.750062D+00
      6   0.420236D+00  0.524372D+00  0.349748D+01  0.995394D+00  0.135774D+01
                51            52            53            54            55 
      1  -0.655422D+00 -0.600803D+00  0.195945D+00 -0.394243D+01  0.563109D+02
      2   0.102311D+00  0.970210D+00 -0.712035D+00  0.320580D+01 -0.335025D+02
      3   0.553111D+00 -0.369407D+00  0.516091D+00  0.736628D+00 -0.228083D+02
      4   0.134117D+00 -0.312461D+00 -0.107773D+01  0.133387D+02 -0.219580D+02
      5   0.102266D+02  0.967090D+01  0.136424D+02 -0.825720D+00 -0.534138D+00
      6   0.170146D+02  0.410367D+01  0.143425D+02 -0.416948D+00  0.465946D+00
                56            57            58            59            60 
      1  -0.997579D+01  0.123159D+00  0.568486D+01  0.131854D+02 -0.604720D+00
      2   0.340707D+01  0.482825D+00 -0.648685D+01 -0.515891D+01  0.153477D+00
      3   0.656872D+01 -0.605984D+00  0.801995D+00 -0.802649D+01  0.451244D+00
      4   0.203653D+02  0.347382D+00  0.216611D+02 -0.289341D+01 -0.904921D+00
      5  -0.998449D-01  0.178869D+02 -0.284918D+00 -0.100748D+01 -0.431653D+01
      6  -0.157345D+00 -0.466715D+01 -0.722885D+00  0.763072D+00  0.741243D+01
                61            62            63            64            65 
      1  -0.165501D+01  0.979588D+00  0.697215D+01  0.577144D+00  0.482700D+00
      2   0.162216D+01 -0.153496D-01 -0.889629D+01 -0.330600D+01 -0.157197D+00
      3   0.328501D-01 -0.964238D+00  0.192414D+01  0.272885D+01 -0.325503D+00
      4   0.963334D+00 -0.162009D+01 -0.573168D+01  0.257545D+00  0.289189D+00
      5   0.163930D+02 -0.639668D+01 -0.354689D+01 -0.513313D+00 -0.284608D-01
      6  -0.184904D+01  0.497126D+01  0.595538D+00 -0.539273D+00  0.266750D+00
                66            67            68            69            70 
      1   0.110037D+01  0.279465D+00 -0.438875D+01 -0.319294D+00  0.180586D+01
      2   0.856681D+00  0.548427D+00  0.972071D+00 -0.895536D+00  0.101275D+01
      3  -0.195705D+01 -0.827892D+00  0.341668D+01  0.121483D+01 -0.281862D+01
      4  -0.270250D+00  0.198415D+01 -0.706835D+00  0.235746D+00  0.104541D+01
      5   0.414235D+01  0.297047D+00  0.568635D-02 -0.215003D+00  0.387375D+01
      6   0.313233D+00  0.177750D+00  0.480803D+00  0.593848D+01  0.172206D+00
                71            72            73            74            75 
      1   0.119600D+01 -0.168012D+02  0.255097D+01  0.154013D+00  0.336934D+01
      2  -0.103048D+01 -0.120294D+02 -0.410605D+01 -0.131092D-01  0.501934D+00
      3  -0.165520D+00  0.288306D+02  0.155508D+01 -0.140904D+00 -0.387127D+01
      4   0.850986D+00 -0.675140D+00  0.371522D+00  0.253944D+01 -0.168241D+01
      5   0.834875D-01  0.141427D+01 -0.111204D+01 -0.118535D+01  0.661231D+01
      6   0.382128D+01 -0.243059D+01 -0.695094D+00 -0.101579D+01  0.885515D+00
                76            77            78            79            80 
      1   0.224313D+01 -0.499525D+01  0.870153D+00  0.103056D+02  0.448809D+01
      2  -0.100666D+01  0.255795D+01 -0.959632D+00 -0.194272D+01 -0.696343D+00
      3  -0.123646D+01  0.243730D+01  0.894795D-01 -0.836290D+01 -0.379175D+01
      4   0.647170D+00 -0.565196D+00  0.701643D+00 -0.110104D+01  0.656947D+00
      5  -0.919955D+00  0.509870D+00  0.193467D+00  0.195006D+01 -0.126632D+01
      6  -0.115364D+01 -0.174620D+01  0.515332D+01  0.145751D+01  0.573197D+01
                81            82            83            84            85 
      1  -0.241367D+02  0.223613D+01 -0.102846D+01 -0.920414D+00 -0.565532D+01
      2  -0.702395D+01  0.100826D+01  0.849391D+00  0.109319D+01  0.448648D+01
      3   0.311607D+02 -0.324440D+01  0.179071D+00 -0.172780D+00  0.116884D+01
      4  -0.825415D+00  0.431038D+00  0.444023D+01  0.285493D+00  0.311397D+01
      5   0.666885D+01 -0.675896D+00 -0.180607D+00  0.128847D+01 -0.806193D+00
      6  -0.978458D+01  0.865401D+00  0.814530D-01  0.168540D+00 -0.165969D+00
                86            87            88            89            90 
      1  -0.184777D+02 -0.126554D+01 -0.376256D+01 -0.356386D+01 -0.509248D+01
      2   0.271944D+02  0.275892D+01  0.269766D+01  0.432468D+01  0.261562D+01
      3  -0.871674D+01 -0.149339D+01  0.106490D+01 -0.760818D+00  0.247686D+01
      4  -0.102409D+02 -0.738531D+00 -0.902063D-01 -0.230482D+01 -0.138525D+01
      5  -0.108718D+01 -0.166291D+01  0.576093D+00 -0.146978D+01 -0.473175D+00
      6   0.407232D+00  0.452148D+01  0.631174D+00  0.544920D+01  0.143416D+01
                91            92            93            94            95 
      1  -0.134066D+02 -0.421727D+01 -0.125654D+00 -0.179279D+02 -0.640658D+01
      2   0.108906D+02  0.711724D+00  0.249341D+00  0.958277D+01  0.988615D+01
      3   0.251597D+01  0.350555D+01 -0.123688D+00  0.834515D+01 -0.347957D+01
      4  -0.373047D+01 -0.201544D+00 -0.384268D+00  0.718982D+01 -0.202823D+02
      5   0.425831D+00  0.282388D+00 -0.152877D+01  0.705481D+00  0.438320D+00
      6  -0.196068D+00 -0.101795D-02 -0.185140D+01  0.230211D+00 -0.108152D+00
                96            97            98            99           100 
      1   0.177824D+00  0.960167D+00  0.340291D+00 -0.474337D+00 -0.223306D+01
      2  -0.175046D+00 -0.586913D+00 -0.373167D+00 -0.138004D+00  0.588710D+01
      3  -0.277791D-02 -0.373255D+00  0.328757D-01  0.612341D+00 -0.365404D+01
      4  -0.644546D-01 -0.146682D+00  0.524291D+00 -0.294796D+01  0.723755D+01
      5  -0.460751D+01  0.338982D+01 -0.266458D+01  0.197107D+00 -0.163031D+01
      6   0.169755D+01 -0.164240D+01  0.251012D+01 -0.352307D+00 -0.491851D+01
               101           102           103           104           105 
      1  -0.849879D+01  0.181408D+01 -0.508331D+01 -0.949065D+01  0.241108D+01
      2   0.131590D+02 -0.341720D+01  0.842993D+01  0.157065D+02 -0.441875D+01
      3  -0.466022D+01  0.160311D+01 -0.334662D+01 -0.621580D+01  0.200767D+01
      4   0.892208D+01 -0.330211D+01  0.908900D+01  0.723531D+01 -0.280936D+01
      5  -0.180402D+01  0.165041D+01 -0.382095D+00 -0.146412D+01  0.126349D+01
      6  -0.526457D+01  0.600851D+01 -0.407864D+01 -0.577514D+01  0.543142D+01
               106           107           108           109           110 
      1   0.250853D+01  0.585802D+01 -0.521778D+01 -0.156662D+01 -0.211811D+01
      2  -0.347575D+01 -0.710535D+01  0.350282D+01  0.120536D+01  0.240714D+01
      3   0.967215D+00  0.124733D+01  0.171496D+01  0.361259D+00 -0.289030D+00
      4  -0.510001D+01 -0.367854D+01  0.412311D+01  0.141243D+00  0.262013D+01
      5   0.188753D+01  0.199694D+01 -0.209956D+01  0.818485D+00  0.843246D+00
      6   0.518525D+01  0.779817D+01 -0.636343D+01  0.118576D+01  0.275687D+01
               111           112           113           114           115 
      1  -0.199568D+01 -0.283977D+00 -0.445750D+01 -0.272141D+01 -0.757318D+00
      2   0.113221D+01  0.489214D+00  0.488478D+01  0.305383D+01 -0.314835D+00
      3   0.863472D+00 -0.205237D+00 -0.427275D+00 -0.332420D+00  0.107215D+01
      4   0.149197D+01  0.331736D+01  0.150255D+01  0.125877D+01  0.386303D+01
      5   0.160086D+01  0.231226D+00  0.411634D+00  0.935458D+00  0.224257D+01
      6   0.348238D+01  0.210013D+01  0.377329D+01  0.676477D+01  0.411135D+01
               116           117           118           119           120 
      1  -0.768382D+01 -0.117840D+02  0.593685D+01  0.621005D+01  0.392803D+01
      2   0.597855D+01 -0.565187D+00 -0.153836D+01 -0.238473D+01 -0.198782D+01
      3   0.170526D+01  0.123492D+02 -0.439849D+01 -0.382533D+01 -0.194022D+01
      4   0.126914D+01  0.237962D+01  0.556366D+01  0.121489D+02  0.272708D+01
      5   0.287827D+00  0.140657D+00  0.376454D+01  0.243383D+01  0.434038D+01
      6   0.986141D+01  0.214337D+02  0.192442D+01  0.464843D+00  0.413398D+00
               121           122           123           124           125 
      1   0.997829D+01  0.276369D+00  0.786569D+00  0.443245D+01 -0.234490D+01
      2  -0.371172D+01  0.794238D+01  0.240554D+01 -0.159966D+01  0.122694D+01
      3  -0.626656D+01 -0.821875D+01 -0.319211D+01 -0.283280D+01  0.111796D+01
      4   0.132203D+02  0.347908D+02  0.152721D+02  0.307841D+01  0.175921D+02
      5   0.563919D+01  0.166491D+02  0.143731D+02  0.527656D+01  0.102821D+02
      6   0.313470D+01  0.774768D+01  0.483781D+01  0.121101D+01  0.729762D+01
               126 
      1  -0.245726D+01
      2  -0.641386D+00
      3   0.309864D+01
      4   0.927080D+01
      5   0.724017D+01
      6   0.534079D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Mon Aug 16 21:30:01 2021, MaxMem=  5637144576 cpu:            4357.7 elap:             546.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -88.25557 -18.98498 -18.93191 -14.20071 -10.19790
 Alpha  occ. eigenvalues --  -10.13307 -10.11421  -7.88006  -5.90303  -5.89864
 Alpha  occ. eigenvalues --   -5.89058  -1.21719  -1.13356  -1.05160  -0.93384
 Alpha  occ. eigenvalues --   -0.85364  -0.76235  -0.72022  -0.68040  -0.63542
 Alpha  occ. eigenvalues --   -0.60583  -0.58811  -0.56795  -0.55352  -0.52157
 Alpha  occ. eigenvalues --   -0.49834  -0.48737  -0.44958  -0.43102  -0.41931
 Alpha  occ. eigenvalues --   -0.37977  -0.36095
 Alpha virt. eigenvalues --    0.01544   0.03766   0.04253   0.04442   0.06234
 Alpha virt. eigenvalues --    0.06540   0.06671   0.07980   0.08599   0.09659
 Alpha virt. eigenvalues --    0.11100   0.11326   0.12259   0.12765   0.13183
 Alpha virt. eigenvalues --    0.14609   0.14834   0.14921   0.15026   0.15910
 Alpha virt. eigenvalues --    0.16858   0.17656   0.17930   0.18499   0.19468
 Alpha virt. eigenvalues --    0.19677   0.20402   0.21083   0.23893   0.24849
 Alpha virt. eigenvalues --    0.25475   0.26140   0.26656   0.27908   0.28433
 Alpha virt. eigenvalues --    0.28981   0.29537   0.30238   0.30741   0.32208
 Alpha virt. eigenvalues --    0.32624   0.33403   0.33825   0.35977   0.36886
 Alpha virt. eigenvalues --    0.37823   0.39068   0.39298   0.40062   0.41414
 Alpha virt. eigenvalues --    0.41965   0.42542   0.43963   0.44695   0.45628
 Alpha virt. eigenvalues --    0.46591   0.48621   0.48859   0.49344   0.50532
 Alpha virt. eigenvalues --    0.51722   0.52219   0.53234   0.53495   0.54616
 Alpha virt. eigenvalues --    0.56442   0.57201   0.57907   0.60493   0.60633
 Alpha virt. eigenvalues --    0.61472   0.62527   0.63483   0.65015   0.65656
 Alpha virt. eigenvalues --    0.66426   0.67548   0.68645   0.70464   0.70721
 Alpha virt. eigenvalues --    0.71719   0.72947   0.74698   0.76902   0.78069
 Alpha virt. eigenvalues --    0.79470   0.80077   0.80941   0.82513   0.83511
 Alpha virt. eigenvalues --    0.85920   0.87246   0.89130   0.89957   0.91773
 Alpha virt. eigenvalues --    0.93141   0.94233   0.97241   0.98637   0.99991
 Alpha virt. eigenvalues --    1.00833   1.01397   1.04053   1.05154   1.05933
 Alpha virt. eigenvalues --    1.07418   1.07970   1.09652   1.10653   1.12639
 Alpha virt. eigenvalues --    1.14502   1.16970   1.17754   1.20250   1.21434
 Alpha virt. eigenvalues --    1.22424   1.24443   1.26778   1.27072   1.31038
 Alpha virt. eigenvalues --    1.31455   1.35240   1.37975   1.38149   1.40574
 Alpha virt. eigenvalues --    1.44325   1.46761   1.48493   1.53597   1.56137
 Alpha virt. eigenvalues --    1.59437   1.62079   1.63873   1.64619   1.67161
 Alpha virt. eigenvalues --    1.69022   1.72536   1.73485   1.76005   1.77822
 Alpha virt. eigenvalues --    1.80531   1.83584   1.84771   1.87205   1.87258
 Alpha virt. eigenvalues --    1.91255   1.91819   1.96363   1.97298   1.99001
 Alpha virt. eigenvalues --    2.00907   2.06586   2.07741   2.11718   2.13594
 Alpha virt. eigenvalues --    2.15436   2.18221   2.19025   2.20194   2.23677
 Alpha virt. eigenvalues --    2.23971   2.26641   2.29521   2.31296   2.34578
 Alpha virt. eigenvalues --    2.36034   2.37756   2.43595   2.44228   2.50326
 Alpha virt. eigenvalues --    2.55641   2.59004   2.61764   2.67168   2.69027
 Alpha virt. eigenvalues --    2.73722   2.77148   2.81666   2.87764   2.91390
 Alpha virt. eigenvalues --    3.04420   3.09505   3.10278   3.18600   3.34125
 Alpha virt. eigenvalues --    3.38837   3.43064   3.44182   3.47029   3.50457
 Alpha virt. eigenvalues --    3.53995   3.55016   3.63479   3.77623   3.87025
 Alpha virt. eigenvalues --    4.03746
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    5.149456   0.233645   0.287169  -0.021600  -0.149677  -0.015055
     2  S    0.233645  15.725125  -0.072417   0.031037  -0.050566   0.009225
     3  C    0.287169  -0.072417   6.200839   0.122723  -0.922985   0.047832
     4  N   -0.021600   0.031037   0.122723   6.590681  -0.044042  -0.005887
     5  C   -0.149677  -0.050566  -0.922985  -0.044042   6.714679   0.208849
     6  O   -0.015055   0.009225   0.047832  -0.005887   0.208849   8.269548
     7  O   -0.039356   0.002128   0.264047  -0.070091  -0.239424  -0.085201
     8  H   -0.151043  -0.029533   0.132279  -0.097334  -0.133190   0.008712
     9  H    0.244067  -0.131149  -0.000051  -0.123387   0.008238   0.015413
    10  H    0.144926  -0.245097   0.126968   0.011444  -0.054959  -0.013878
    11  H    0.021037  -0.001788  -0.177331   0.086214  -0.003975   0.013362
    12  H    0.025583  -0.004700   0.013442   0.305597  -0.023447   0.001685
    13  H   -0.096878  -0.014916  -0.106197   0.414840   0.044888   0.001759
    14  H    0.019440   0.230632  -0.090647   0.043861   0.004822  -0.000341
               7          8          9         10         11         12
     1  C   -0.039356  -0.151043   0.244067   0.144926   0.021037   0.025583
     2  S    0.002128  -0.029533  -0.131149  -0.245097  -0.001788  -0.004700
     3  C    0.264047   0.132279  -0.000051   0.126968  -0.177331   0.013442
     4  N   -0.070091  -0.097334  -0.123387   0.011444   0.086214   0.305597
     5  C   -0.239424  -0.133190   0.008238  -0.054959  -0.003975  -0.023447
     6  O   -0.085201   0.008712   0.015413  -0.013878   0.013362   0.001685
     7  O    8.303669   0.013205  -0.005239   0.004816   0.234771   0.004728
     8  H    0.013205   1.516682   0.087831  -0.052062  -0.004076  -0.083872
     9  H   -0.005239   0.087831   1.449521  -0.245010  -0.001554  -0.002991
    10  H    0.004816  -0.052062  -0.245010   1.503027   0.001820  -0.004380
    11  H    0.234771  -0.004076  -0.001554   0.001820   0.638341   0.002286
    12  H    0.004728  -0.083872  -0.002991  -0.004380   0.002286   0.886563
    13  H   -0.003801   0.032367   0.004045   0.000486  -0.004640  -0.166066
    14  H    0.000711  -0.019626  -0.059390   0.041086   0.001282   0.005428
              13         14
     1  C   -0.096878   0.019440
     2  S   -0.014916   0.230632
     3  C   -0.106197  -0.090647
     4  N    0.414840   0.043861
     5  C    0.044888   0.004822
     6  O    0.001759  -0.000341
     7  O   -0.003801   0.000711
     8  H    0.032367  -0.019626
     9  H    0.004045  -0.059390
    10  H    0.000486   0.041086
    11  H   -0.004640   0.001282
    12  H   -0.166066   0.005428
    13  H    0.856739  -0.005795
    14  H   -0.005795   0.822969
 Mulliken charges:
               1
     1  C    0.348288
     2  S    0.318373
     3  C    0.174330
     4  N   -0.244056
     5  C    0.640789
     6  O   -0.456023
     7  O   -0.384965
     8  H   -0.220338
     9  H   -0.240344
    10  H   -0.219186
    11  H    0.194252
    12  H    0.040144
    13  H    0.043169
    14  H    0.005567
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -0.111241
     2  S    0.323940
     3  C   -0.046009
     4  N   -0.160743
     5  C    0.640789
     6  O   -0.456023
     7  O   -0.190713
 Electronic spatial extent (au):  <R**2>=           1132.6078
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              2.5743    Y=              3.8124    Z=              0.6361  Tot=              4.6439
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -62.9642   YY=            -49.3295   ZZ=            -47.3787
   XY=             -1.7581   XZ=              1.6069   YZ=              1.4456
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -9.7401   YY=              3.8947   ZZ=              5.8454
   XY=             -1.7581   XZ=              1.6069   YZ=              1.4456
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=              3.1193  YYY=             15.1874  ZZZ=              2.4233  XYY=              8.6445
  XXY=             18.9517  XXZ=              0.5470  XZZ=             -6.4700  YZZ=              2.8722
  YYZ=              1.0580  XYZ=              2.1362
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1170.8805 YYYY=           -307.3961 ZZZZ=            -80.1146 XXXY=             11.8972
 XXXZ=              3.9607 YYYX=             -8.6576 YYYZ=              3.2819 ZZZX=              3.2138
 ZZZY=              3.5516 XXYY=           -233.6833 XXZZ=           -199.5765 YYZZ=            -61.1073
 XXYZ=              8.0049 YYXZ=             -1.6199 ZZXY=              2.6022
 N-N= 3.742750386855D+02 E-N=-2.451317565121D+03  KE= 7.182254255846D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Mon Aug 16 21:30:01 2021, MaxMem=  5637144576 cpu:               1.6 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 1.00807511D+00 1.49224262D+00 2.23181640D-01
 Polarizability= 8.36422555D+01 1.23653984D+00 7.02428125D+01
                -1.54045702D+00 6.60536905D-01 5.22931836D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 2     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 3     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 4     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 5      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.3579    0.3580        0.2309    0.2309
 2     -0.3579   -0.3580        0.3016    0.3014       -6.9930   -6.9926
 3     -0.2309   -0.2309       15.5038   15.5028       -0.3013   -0.3014
 4     -0.3016   -0.3014        0.0000    0.0000       -0.2304   -0.2309
 5     -8.5108   -8.5102        0.2304    0.2309        0.3577    0.3580
 6      0.3013    0.3014       -0.3577   -0.3580       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -1.0739   -1.0739        0.6928    0.6928
 2     -0.9041   -0.9041        0.0000    0.0000        0.6928    0.6928
 3     -0.9041   -0.9041       -1.0739   -1.0739       -0.0000    0.0000
 4     -1.0739   -1.0739        0.9041    0.9041      -20.9778  -20.9778
 5     -0.6928   -0.6928       46.5084   46.5084       -0.9041   -0.9041
 6    -25.5306  -25.5306        0.6928    0.6928        1.0739    1.0739
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0172    0.0000       -1.4093   -1.4319       -0.9292   -0.9237
 2      1.4094    1.4319       -1.2338   -1.2054       27.9264   27.9704
 3      0.9407    0.9237      -61.9943  -62.0112        1.1768    1.2054
 4      1.2091    1.2054        0.0164    0.0000        0.9338    0.9237
 5     34.0749   34.0408       -0.9245   -0.9237       -1.4047   -1.4319
 6     -1.2082   -1.2054        1.4996    1.4319       -0.0052    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0058    0.0000       -3.4429   -3.4408        0.7374    0.7340
 2      3.4487    3.4408       19.0415   19.0242       -3.1009   -3.0400
 3     -0.6912   -0.7340       11.1382   11.0498      -18.9676  -19.0242
 4    -18.9760  -19.0242       -0.0061    0.0000       -0.6964   -0.7340
 5     -8.0331   -8.0098        0.8746    0.7340       -3.4599   -3.4408
 6     18.9708   19.0242        3.4462    3.4408       -0.0587    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -18.0845  -18.0812        4.6160    4.6296       -1.8389   -1.8191
 2    -49.0598  -49.1343        1.8097    1.8246       -1.7685   -1.8191
 3    -49.0627  -49.1343        4.6130    4.6296       -2.7271   -2.7838
 4      2.8061    2.8050       31.1598   31.0531        0.3863    0.4221
 5     -0.9468   -0.9647       12.5599   12.5209      -31.0585  -31.0531
 6    -12.9674  -12.9430        1.2206    0.9647       -2.9447   -2.8050
 Full mass-weighted force constant matrix:
 Low frequencies ---   -6.2556   -1.2026    0.0017    0.0025    0.0027    3.2043
 Low frequencies ---   70.6550   93.3205  178.9969
 Diagonal vibrational polarizability:
       27.0245173      36.2817680      21.9730227
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     70.6522                93.3204               178.9969
 Red. masses --      5.0198                 3.2598                 4.7319
 Frc consts  --      0.0148                 0.0167                 0.0893
 IR Inten    --      1.9555                 6.3296                 9.4754
 RamAct Fr= 1--      0.4380                 0.2720                 0.5163
  Dep-P Fr= 1--      0.7500                 0.6669                 0.6971
  Dep-U Fr= 1--      0.8571                 0.8002                 0.8215
 Alpha2 Fr= 1--      0.0000                 0.0004                 0.0005
 Beta2  Fr= 1--      0.0626                 0.0363                 0.0707
 AlphaG Fr= 1--      0.0000                -0.0022                -0.0002
 Gamma2 Fr= 1--      0.2541                 0.5356                -0.6961
 Delta2 Fr= 1--      0.2049                 0.1948                -0.1913
 Raman1 Fr= 1--       1.752                  1.088                  2.065
 ROA1   Fr= 1--      30.951                 57.652                -72.945
 CID1   Fr= 1--      17.667                 52.994                -35.320
 Raman2 Fr= 1--       0.751                  0.435                  0.848
 ROA2   Fr= 1--       4.460                 11.296                -15.175
 CID2   Fr= 1--       5.940                 25.952                -17.888
 Raman3 Fr= 1--       1.502                  0.870                  1.697
 ROA3   Fr= 1--      30.951                 57.652                -72.945
 CID3   Fr= 1--      20.612                 66.229                -42.993
 RC180  Fr= 1--       0.714                  0.600                  0.643
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.08   0.07    -0.01  -0.15  -0.20    -0.08   0.05  -0.23
     2  16    -0.00  -0.03   0.08     0.00   0.12   0.08     0.03  -0.13   0.08
     3   6    -0.01  -0.01  -0.08    -0.01  -0.08  -0.11    -0.04   0.18  -0.14
     4   7    -0.01   0.03  -0.23     0.09  -0.09  -0.09    -0.11   0.15  -0.03
     5   6     0.00  -0.01  -0.02    -0.03  -0.00   0.01     0.04   0.04  -0.01
     6   8    -0.01  -0.02  -0.26    -0.09   0.01   0.08     0.22   0.02   0.12
     7   8     0.05  -0.02   0.35     0.04   0.06   0.08    -0.08  -0.10   0.07
     8   1     0.02  -0.15  -0.07    -0.10  -0.07  -0.12    -0.10   0.27  -0.16
     9   1    -0.07   0.24   0.06    -0.11  -0.41  -0.20    -0.20  -0.14  -0.23
    10   1    -0.04   0.04   0.22     0.11  -0.10  -0.44    -0.16   0.11  -0.40
    11   1     0.05  -0.02   0.33     0.08   0.03   0.01    -0.23  -0.03  -0.01
    12   1    -0.19   0.03  -0.46     0.17  -0.15  -0.05    -0.08   0.21   0.07
    13   1     0.23   0.16  -0.30     0.07  -0.13  -0.08    -0.17   0.07   0.00
    14   1    -0.05   0.13  -0.19    -0.11  -0.12   0.52     0.14  -0.26   0.30
                      4                      5                      6
                      A                      A                      A
 Frequencies --    221.6284               266.1813               327.3874
 Red. masses --      1.1447                 8.9496                 1.2096
 Frc consts  --      0.0331                 0.3736                 0.0764
 IR Inten    --     25.2567                 5.4161                11.4018
 RamAct Fr= 1--      0.2659                 3.0108                 0.1979
  Dep-P Fr= 1--      0.6322                 0.2127                 0.6840
  Dep-U Fr= 1--      0.7746                 0.3508                 0.8124
 Alpha2 Fr= 1--      0.0006                 0.0395                 0.0002
 Beta2  Fr= 1--      0.0343                 0.1760                 0.0268
 AlphaG Fr= 1--      0.0030                 0.0024                -0.0001
 Gamma2 Fr= 1--     -0.0282                 0.2949                -0.0278
 Delta2 Fr= 1--     -0.1470                 0.0636                 0.0569
 Raman1 Fr= 1--       1.064                 12.043                  0.792
 ROA1   Fr= 1--      -7.411                 30.348                 -0.850
 CID1   Fr= 1--      -6.969                  2.520                 -1.074
 Raman2 Fr= 1--       0.412                  2.112                  0.322
 ROA2   Fr= 1--       0.498                  6.569                 -1.124
 CID2   Fr= 1--       1.210                  3.110                 -3.495
 Raman3 Fr= 1--       0.824                  4.224                  0.643
 ROA3   Fr= 1--      -7.411                 30.348                 -0.850
 CID3   Fr= 1--      -8.996                  7.184                 -1.322
 RC180  Fr= 1--       0.549                 -0.298                  0.625
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.02   0.06     0.16   0.12  -0.10     0.00  -0.01  -0.02
     2  16    -0.00   0.01  -0.04     0.36  -0.05   0.03     0.01   0.00   0.00
     3   6    -0.00  -0.00   0.03    -0.07  -0.02  -0.02    -0.01   0.02   0.05
     4   7    -0.01   0.02  -0.04    -0.30  -0.02   0.02     0.05   0.03   0.03
     5   6    -0.00  -0.00   0.01    -0.15  -0.04   0.02    -0.02  -0.00   0.03
     6   8    -0.00  -0.01  -0.03    -0.34  -0.01   0.01    -0.00  -0.01  -0.00
     7   8    -0.01  -0.01   0.01    -0.07   0.06   0.00    -0.05  -0.02  -0.05
     8   1     0.01  -0.04   0.04    -0.16   0.04  -0.04    -0.07   0.00   0.04
     9   1     0.07   0.09   0.06     0.20   0.13  -0.10     0.02  -0.09  -0.01
    10   1    -0.02   0.01   0.12     0.20   0.09  -0.05    -0.01   0.01  -0.08
    11   1    -0.02  -0.00  -0.03     0.05   0.01   0.04    -0.02  -0.02   0.18
    12   1     0.10  -0.06   0.01    -0.44   0.14   0.00    -0.42   0.12  -0.46
    13   1    -0.09   0.05  -0.02    -0.25  -0.02   0.01     0.70   0.11  -0.13
    14   1     0.40  -0.46   0.75     0.37   0.03  -0.10     0.04  -0.07   0.12
                      7                      8                      9
                      A                      A                      A
 Frequencies --    355.1031               412.6224               520.8332
 Red. masses --      3.1374                 2.3838                 6.0679
 Frc consts  --      0.2331                 0.2391                 0.9698
 IR Inten    --     21.2180                 3.2445                 0.9738
 RamAct Fr= 1--      2.8431                 0.3045                 2.5337
  Dep-P Fr= 1--      0.1719                 0.7496                 0.7460
  Dep-U Fr= 1--      0.2934                 0.8569                 0.8545
 Alpha2 Fr= 1--      0.0416                 0.0000                 0.0002
 Beta2  Fr= 1--      0.1390                 0.0435                 0.3608
 AlphaG Fr= 1--      0.0124                -0.0000                -0.0038
 Gamma2 Fr= 1--     -0.2342                -0.3220                 0.9650
 Delta2 Fr= 1--     -0.2096                -0.1359                 0.3634
 Raman1 Fr= 1--      11.372                  1.218                 10.135
 ROA1   Fr= 1--     -29.188                -35.264                104.265
 CID1   Fr= 1--      -2.567                -28.955                 10.288
 Raman2 Fr= 1--       1.668                  0.522                  4.330
 ROA2   Fr= 1--      -3.943                 -6.642                 20.252
 CID2   Fr= 1--      -2.364                -12.730                  4.677
 Raman3 Fr= 1--       3.336                  1.044                  8.660
 ROA3   Fr= 1--     -29.188                -35.264                104.265
 CID3   Fr= 1--      -8.749                -33.791                 12.039
 RC180  Fr= 1--      -0.413                  0.714                  0.709
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.04  -0.01     0.05  -0.15   0.01     0.02  -0.16   0.10
     2  16    -0.07  -0.01  -0.00    -0.01  -0.01  -0.01     0.06   0.02  -0.02
     3   6     0.03  -0.03  -0.09     0.02   0.00   0.19    -0.03  -0.16  -0.06
     4   7    -0.19  -0.05   0.08    -0.14   0.08  -0.10    -0.15  -0.26   0.00
     5   6     0.07  -0.04  -0.06     0.03   0.02   0.09    -0.04   0.21  -0.06
     6   8     0.01  -0.03   0.06     0.04   0.01  -0.06     0.28   0.18  -0.01
     7   8     0.25   0.10  -0.02     0.05   0.04  -0.02    -0.19   0.13   0.03
     8   1     0.10   0.06  -0.08    -0.00  -0.08   0.19     0.06  -0.24  -0.04
     9   1    -0.08   0.11  -0.01     0.10  -0.57   0.02     0.06   0.07   0.10
    10   1    -0.06   0.02   0.07     0.01  -0.03  -0.39     0.10  -0.22   0.29
    11   1     0.51   0.00   0.10     0.09   0.02  -0.10    -0.20   0.14   0.14
    12   1    -0.60   0.24  -0.14    -0.13   0.03  -0.14    -0.45  -0.01  -0.10
    13   1     0.16  -0.10   0.00    -0.34   0.39  -0.09     0.05  -0.32  -0.04
    14   1     0.05  -0.13   0.21    -0.15   0.02  -0.05    -0.04  -0.02   0.07
                     10                     11                     12
                      A                      A                      A
 Frequencies --    596.0764               696.8288               738.9866
 Red. masses --      3.6751                 6.4385                 1.5778
 Frc consts  --      0.7693                 1.8420                 0.5077
 IR Inten    --     10.6838                10.8593                 9.0057
 RamAct Fr= 1--      1.0447                12.2774                 0.5094
  Dep-P Fr= 1--      0.2458                 0.1311                 0.7223
  Dep-U Fr= 1--      0.3947                 0.2317                 0.8388
 Alpha2 Fr= 1--      0.0125                 0.1991                 0.0002
 Beta2  Fr= 1--      0.0687                 0.4742                 0.0712
 AlphaG Fr= 1--      0.0108                 0.0588                -0.0029
 Gamma2 Fr= 1--      0.3910                -0.4584                 0.6490
 Delta2 Fr= 1--      0.1767                -0.5379                 0.0133
 Raman1 Fr= 1--       4.179                 49.109                  2.038
 ROA1   Fr= 1--      43.194                -61.214                 62.726
 CID1   Fr= 1--      10.336                 -1.246                 30.782
 Raman2 Fr= 1--       0.825                  5.690                  0.855
 ROA2   Fr= 1--       7.971                 -6.697                 15.468
 CID2   Fr= 1--       9.666                 -1.177                 18.099
 Raman3 Fr= 1--       1.649                 11.380                  1.709
 ROA3   Fr= 1--      43.194                -61.214                 62.726
 CID3   Fr= 1--      26.191                 -5.379                 36.697
 RC180  Fr= 1--      -0.211                 -0.537                  0.678
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.07   0.13  -0.11     0.32   0.19  -0.15     0.07   0.10   0.04
     2  16     0.02  -0.01   0.02    -0.16  -0.04   0.05    -0.04  -0.01   0.01
     3   6    -0.21  -0.05   0.06     0.15  -0.04  -0.03    -0.01  -0.01   0.02
     4   7     0.02  -0.06  -0.01    -0.04  -0.16  -0.02     0.01  -0.03  -0.01
     5   6    -0.06  -0.03   0.24     0.19   0.09   0.26    -0.07  -0.02  -0.11
     6   8     0.14  -0.09  -0.10    -0.10   0.16  -0.07     0.03  -0.04   0.03
     7   8     0.05   0.14  -0.07    -0.04  -0.12  -0.06    -0.03   0.06   0.03
     8   1    -0.60  -0.11   0.01    -0.19  -0.12  -0.08     0.15  -0.04   0.05
     9   1    -0.04   0.23  -0.11     0.20   0.13  -0.15    -0.08  -0.42   0.04
    10   1    -0.01   0.09   0.03     0.38   0.16  -0.10     0.32   0.20  -0.42
    11   1     0.30   0.03  -0.00    -0.33   0.01   0.09     0.07   0.01   0.01
    12   1     0.29  -0.33   0.05    -0.22   0.11   0.03     0.07  -0.11  -0.01
    13   1     0.05  -0.14  -0.00    -0.12  -0.19  -0.00     0.07  -0.05  -0.02
    14   1     0.11   0.04  -0.07     0.19  -0.03  -0.01     0.59   0.08  -0.20
                     13                     14                     15
                      A                      A                      A
 Frequencies --    786.2754               838.7083               860.6221
 Red. masses --      2.8062                 1.2934                 1.7376
 Frc consts  --      1.0222                 0.5360                 0.7583
 IR Inten    --      1.0052               125.3862                65.4822
 RamAct Fr= 1--      1.6839                 1.3242                 8.2797
  Dep-P Fr= 1--      0.6940                 0.6270                 0.2003
  Dep-U Fr= 1--      0.8194                 0.7707                 0.3338
 Alpha2 Fr= 1--      0.0016                 0.0030                 0.1123
 Beta2  Fr= 1--      0.2300                 0.1701                 0.4606
 AlphaG Fr= 1--     -0.0040                 0.0204                -0.0655
 Gamma2 Fr= 1--      0.5907                -1.1831                -0.0211
 Delta2 Fr= 1--      0.4309                -0.2743                -0.0140
 Raman1 Fr= 1--       6.736                  5.297                 33.119
 ROA1   Fr= 1--      70.493               -122.357                 -2.472
 CID1   Fr= 1--      10.466                -23.101                 -0.075
 Raman2 Fr= 1--       2.759                  2.041                  5.528
 ROA2   Fr= 1--      10.729                -26.200                 -0.394
 CID2   Fr= 1--       3.888                -12.836                 -0.071
 Raman3 Fr= 1--       5.519                  4.082                 11.055
 ROA3   Fr= 1--      70.493               -122.357                 -2.472
 CID3   Fr= 1--      12.773                -29.973                 -0.224
 RC180  Fr= 1--       0.639                  0.541                 -0.332
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.22  -0.02  -0.08     0.06  -0.04   0.01    -0.08  -0.00   0.05
     2  16    -0.05  -0.02   0.02    -0.01  -0.00   0.00     0.01   0.01  -0.01
     3   6     0.06   0.01  -0.01    -0.01  -0.03  -0.03     0.11   0.05  -0.07
     4   7     0.05   0.05   0.01    -0.06   0.10  -0.02     0.08  -0.05  -0.03
     5   6    -0.14  -0.07  -0.05     0.00   0.00  -0.02    -0.03  -0.03   0.12
     6   8     0.05  -0.12   0.01     0.00   0.00   0.02     0.00  -0.05  -0.02
     7   8    -0.09   0.13   0.03    -0.00  -0.00  -0.04    -0.05   0.04  -0.04
     8   1     0.05   0.12  -0.01    -0.03  -0.05  -0.03     0.09  -0.03  -0.06
     9   1     0.38   0.32  -0.08     0.08  -0.00   0.01    -0.23  -0.12   0.04
    10   1     0.09  -0.11   0.29     0.07  -0.05   0.06    -0.08   0.05  -0.12
    11   1     0.17   0.01  -0.13     0.08   0.00   0.85     0.16  -0.03   0.54
    12   1    -0.15   0.25  -0.02     0.33  -0.18   0.16    -0.26   0.45   0.09
    13   1    -0.21   0.24   0.04     0.16  -0.18  -0.02    -0.45   0.07   0.06
    14   1    -0.46  -0.09   0.18    -0.07   0.00   0.00     0.15   0.01  -0.02
                     16                     17                     18
                      A                      A                      A
 Frequencies --    887.7760               957.1437              1053.2165
 Red. masses --      2.3326                 1.4011                 2.0106
 Frc consts  --      1.0832                 0.7563                 1.3141
 IR Inten    --     41.7592                46.4077                28.7162
 RamAct Fr= 1--      6.2686                 3.5027                 1.2305
  Dep-P Fr= 1--      0.0974                 0.3885                 0.3251
  Dep-U Fr= 1--      0.1775                 0.5596                 0.4907
 Alpha2 Fr= 1--      0.1105                 0.0270                 0.0117
 Beta2  Fr= 1--      0.1854                 0.3267                 0.1006
 AlphaG Fr= 1--      0.0773                 0.0711                -0.0171
 Gamma2 Fr= 1--     -0.3763                -0.6064                 0.6788
 Delta2 Fr= 1--      0.0224                 0.2468                 0.0809
 Raman1 Fr= 1--      25.075                 14.011                  4.922
 ROA1   Fr= 1--     -35.406                -50.320                 67.755
 CID1   Fr= 1--      -1.412                 -3.592                 13.765
 Raman2 Fr= 1--       2.225                  3.920                  1.208
 ROA2   Fr= 1--      -9.210                -16.529                 15.645
 CID2   Fr= 1--      -4.139                 -4.217                 12.956
 Raman3 Fr= 1--       4.450                  7.840                  2.415
 ROA3   Fr= 1--     -35.406                -50.320                 67.755
 CID3   Fr= 1--      -7.956                 -6.419                 28.055
 RC180  Fr= 1--      -0.645                  0.119                 -0.019
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.10  -0.09     0.02  -0.11  -0.03    -0.09  -0.04  -0.13
     2  16     0.01  -0.01   0.00    -0.02   0.01   0.02    -0.01   0.02   0.02
     3   6    -0.06   0.02   0.17    -0.09  -0.03  -0.01     0.19  -0.02   0.08
     4   7     0.06  -0.15  -0.03     0.05   0.04   0.02    -0.07  -0.02   0.00
     5   6     0.01   0.02  -0.16     0.00   0.02  -0.03     0.04  -0.03   0.01
     6   8    -0.00   0.05   0.04     0.00   0.03   0.00    -0.00  -0.04  -0.00
     7   8     0.04  -0.04  -0.00     0.04  -0.03  -0.01    -0.06   0.06   0.01
     8   1    -0.02   0.09   0.17    -0.26   0.12  -0.04     0.31   0.21   0.08
     9   1     0.18   0.12  -0.07    -0.05   0.19  -0.04    -0.03   0.34  -0.14
    10   1    -0.19   0.11  -0.04     0.33  -0.24   0.26    -0.25  -0.11   0.17
    11   1     0.05  -0.02   0.57     0.02  -0.02   0.08    -0.05   0.05   0.05
    12   1    -0.11  -0.12  -0.17    -0.14   0.16  -0.07     0.17  -0.39  -0.08
    13   1    -0.39   0.36  -0.01    -0.26   0.31   0.04     0.15   0.19  -0.06
    14   1    -0.27  -0.04   0.09     0.59   0.10  -0.19     0.48   0.10  -0.18
                     19                     20                     21
                      A                      A                      A
 Frequencies --   1129.3687              1143.3226              1208.9876
 Red. masses --      2.6574                 1.3129                 2.2483
 Frc consts  --      1.9970                 1.0112                 1.9362
 IR Inten    --      5.0325                24.7985                18.7424
 RamAct Fr= 1--      1.2293                 3.7116                 3.9315
  Dep-P Fr= 1--      0.7464                 0.7413                 0.2844
  Dep-U Fr= 1--      0.8548                 0.8514                 0.4428
 Alpha2 Fr= 1--      0.0001                 0.0005                 0.0422
 Beta2  Fr= 1--      0.1751                 0.5267                 0.2901
 AlphaG Fr= 1--      0.0003                -0.0020                 0.0092
 Gamma2 Fr= 1--      0.5881                 0.9757                -0.2517
 Delta2 Fr= 1--     -0.1603                 0.8670                 0.0672
 Raman1 Fr= 1--       4.917                 14.846                 15.726
 ROA1   Fr= 1--      51.327                121.415                -22.019
 CID1   Fr= 1--      10.438                  8.178                 -1.400
 Raman2 Fr= 1--       2.102                  6.320                  3.482
 ROA2   Fr= 1--      15.397                 16.482                 -6.579
 CID2   Fr= 1--       7.326                  2.608                 -1.890
 Raman3 Fr= 1--       4.203                 12.641                  6.964
 ROA3   Fr= 1--      51.327                121.415                -22.019
 CID3   Fr= 1--      12.211                  9.605                 -3.162
 RC180  Fr= 1--       0.710                  0.703                 -0.114
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.10  -0.09   0.10     0.00  -0.06  -0.03    -0.01  -0.00  -0.00
     2  16    -0.00   0.00  -0.00    -0.01   0.01   0.02     0.00   0.00  -0.00
     3   6    -0.06   0.28  -0.05    -0.02   0.11   0.04    -0.03   0.00   0.06
     4   7    -0.03  -0.14  -0.03     0.01  -0.03  -0.05     0.01   0.02  -0.02
     5   6     0.06  -0.03   0.03    -0.05   0.01  -0.01     0.24  -0.08  -0.09
     6   8    -0.02  -0.05  -0.00     0.00   0.00   0.00    -0.03  -0.08   0.02
     7   8    -0.00   0.04  -0.01     0.03  -0.02  -0.00    -0.06   0.12   0.02
     8   1    -0.18   0.73  -0.09     0.03  -0.22   0.06    -0.49  -0.34   0.00
     9   1    -0.10  -0.06   0.09     0.58   0.01   0.02    -0.09  -0.00  -0.01
    10   1     0.05  -0.08   0.07    -0.39  -0.03   0.04    -0.05   0.00   0.01
    11   1    -0.08   0.06   0.05     0.07  -0.04  -0.04    -0.53   0.30   0.07
    12   1     0.08  -0.43  -0.17    -0.05   0.26   0.15    -0.12   0.28   0.08
    13   1     0.06   0.03  -0.08     0.07  -0.46  -0.01    -0.03  -0.23   0.02
    14   1    -0.01   0.01  -0.01     0.31   0.07  -0.12     0.02   0.00  -0.00
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1236.3112              1279.3123              1329.0466
 Red. masses --      1.4469                 1.3165                 1.3276
 Frc consts  --      1.3030                 1.2695                 1.3816
 IR Inten    --      5.9660                 0.4208                 5.7586
 RamAct Fr= 1--      4.1148                 1.3957                 3.2839
  Dep-P Fr= 1--      0.3831                 0.7498                 0.5604
  Dep-U Fr= 1--      0.5540                 0.8570                 0.7182
 Alpha2 Fr= 1--      0.0323                 0.0000                 0.0118
 Beta2  Fr= 1--      0.3799                 0.1994                 0.3931
 AlphaG Fr= 1--      0.0445                 0.0004                -0.0264
 Gamma2 Fr= 1--      0.1866                -1.8522                 0.0517
 Delta2 Fr= 1--     -0.8723                -0.1637                 0.0727
 Raman1 Fr= 1--      16.459                  5.583                 13.136
 ROA1   Fr= 1--      -9.999               -183.054                  7.288
 CID1   Fr= 1--      -0.608                -32.788                  0.555
 Raman2 Fr= 1--       4.559                  2.392                  4.717
 ROA2   Fr= 1--      11.458                -43.144                  0.659
 CID2   Fr= 1--       2.513                -18.034                  0.140
 Raman3 Fr= 1--       9.118                  4.785                  9.435
 ROA3   Fr= 1--      -9.999               -183.054                  7.288
 CID3   Fr= 1--      -1.097                -38.258                  0.772
 RC180  Fr= 1--       0.108                  0.714                  0.436
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06   0.01   0.00    -0.09  -0.00  -0.04     0.10  -0.02  -0.04
     2  16     0.00  -0.00   0.01     0.00  -0.01  -0.01     0.00   0.00  -0.00
     3   6    -0.11  -0.02  -0.09     0.03   0.08   0.08    -0.11   0.02   0.04
     4   7     0.02   0.00   0.03    -0.01  -0.02  -0.05     0.01   0.00  -0.02
     5   6     0.09  -0.02   0.05    -0.02  -0.00   0.00     0.00   0.01   0.03
     6   8    -0.01  -0.02  -0.01    -0.00  -0.01   0.00    -0.00  -0.01  -0.00
     7   8    -0.01   0.03  -0.01     0.01  -0.00   0.00     0.02   0.00  -0.01
     8   1     0.62  -0.01   0.02     0.18  -0.02   0.12     0.64  -0.11   0.16
     9   1     0.63  -0.08   0.05    -0.04   0.12  -0.04    -0.61   0.10  -0.10
    10   1     0.17   0.00  -0.06     0.85  -0.15   0.11    -0.23  -0.03   0.11
    11   1    -0.22   0.12   0.06     0.00  -0.00  -0.01    -0.14   0.07   0.03
    12   1    -0.03  -0.10  -0.11    -0.01   0.15   0.10    -0.04   0.11   0.03
    13   1    -0.09   0.21   0.02     0.08  -0.29  -0.03    -0.01  -0.15   0.01
    14   1    -0.00   0.00  -0.00    -0.16  -0.04   0.06     0.03   0.00  -0.00
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1400.4381              1404.0352              1468.2333
 Red. masses --      1.2947                 1.6000                 1.0889
 Frc consts  --      1.4960                 1.8584                 1.3830
 IR Inten    --     95.4773               361.7859                 6.2233
 RamAct Fr= 1--      4.5643                 4.3166                 4.0000
  Dep-P Fr= 1--      0.7086                 0.1138                 0.7237
  Dep-U Fr= 1--      0.8295                 0.2043                 0.8397
 Alpha2 Fr= 1--      0.0033                 0.0731                 0.0018
 Beta2  Fr= 1--      0.6310                 0.1470                 0.5598
 AlphaG Fr= 1--     -0.0009                -0.0706                 0.0031
 Gamma2 Fr= 1--      1.2996                -0.0594                 0.2515
 Delta2 Fr= 1--     -0.9614                -0.0001                -0.6167
 Raman1 Fr= 1--      18.257                 17.266                 16.000
 ROA1   Fr= 1--      93.997                 -5.709                  4.405
 CID1   Fr= 1--       5.148                 -0.331                  0.275
 Raman2 Fr= 1--       7.572                  1.764                  6.718
 ROA2   Fr= 1--      38.881                 -1.426                 10.968
 CID2   Fr= 1--       5.135                 -0.809                  1.633
 Raman3 Fr= 1--      15.144                  3.527                 13.436
 ROA3   Fr= 1--      93.997                 -5.709                  4.405
 CID3   Fr= 1--       6.207                 -1.618                  0.328
 RC180  Fr= 1--       0.659                 -0.591                  0.679
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.03   0.01    -0.00   0.01  -0.00    -0.01   0.06  -0.05
     2  16     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     3   6     0.01  -0.11   0.03    -0.06  -0.06   0.03     0.02   0.02  -0.01
     4   7     0.01   0.01  -0.05     0.02   0.02  -0.04    -0.00  -0.00   0.01
     5   6    -0.05   0.02   0.01     0.14  -0.05  -0.01    -0.01   0.00  -0.00
     6   8     0.01  -0.02  -0.00    -0.01   0.05  -0.00     0.00  -0.00  -0.00
     7   8     0.05   0.00  -0.01    -0.11   0.01   0.01     0.00  -0.00  -0.00
     8   1    -0.01   0.76  -0.01     0.10   0.46   0.04    -0.02  -0.10  -0.01
     9   1     0.09  -0.13   0.02     0.02  -0.10   0.01    -0.02  -0.69  -0.01
    10   1    -0.08   0.02   0.04    -0.05  -0.00   0.07    -0.04  -0.17   0.69
    11   1    -0.44   0.22   0.05     0.70  -0.35  -0.10    -0.01   0.01   0.00
    12   1    -0.05   0.26   0.12    -0.02   0.16   0.06     0.01  -0.06  -0.03
    13   1     0.05  -0.20  -0.03     0.02  -0.24  -0.00    -0.02   0.04   0.00
    14   1     0.01  -0.00   0.00     0.00   0.00  -0.00     0.00   0.01  -0.01
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1660.9807              1837.5331              2668.7949
 Red. masses --      1.0918                 9.9012                 1.0385
 Frc consts  --      1.7748                19.6974                 4.3579
 IR Inten    --     28.2652               302.8040                 5.5651
 RamAct Fr= 1--      2.4742                12.6045               106.4901
  Dep-P Fr= 1--      0.7022                 0.3501                 0.1689
  Dep-U Fr= 1--      0.8250                 0.5187                 0.2890
 Alpha2 Fr= 1--      0.0021                 0.1106                 1.5686
 Beta2  Fr= 1--      0.3402                 1.0896                 5.1289
 AlphaG Fr= 1--      0.0019                 0.1294                -1.2185
 Gamma2 Fr= 1--      0.0216                 0.4026                -4.3702
 Delta2 Fr= 1--     -0.0908                 0.7628                 0.1058
 Raman1 Fr= 1--       9.897                 50.418                425.960
 ROA1   Fr= 1--      -0.833                 63.063               -416.152
 CID1   Fr= 1--      -0.084                  1.251                 -0.977
 Raman2 Fr= 1--       4.083                 13.075                 61.547
 ROA2   Fr= 1--       1.244                  3.561               -105.731
 CID2   Fr= 1--       0.305                  0.272                 -1.718
 Raman3 Fr= 1--       8.165                 26.150                123.094
 ROA3   Fr= 1--      -0.833                 63.063               -416.152
 CID3   Fr= 1--      -0.102                  2.412                 -3.381
 RC180  Fr= 1--       0.650                  0.037                 -0.422
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00   0.01  -0.00    -0.00   0.00   0.00
     2  16     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.03  -0.02
     3   6    -0.03   0.01  -0.01    -0.01  -0.03   0.01     0.00  -0.00   0.00
     4   7    -0.03  -0.07  -0.02    -0.00  -0.01   0.00     0.00   0.00   0.00
     5   6     0.01  -0.00  -0.00     0.14   0.71  -0.03     0.00  -0.00  -0.00
     6   8    -0.00   0.00   0.00    -0.09  -0.44   0.02    -0.00   0.00   0.00
     7   8    -0.00   0.00   0.00    -0.04  -0.06   0.01    -0.00   0.00   0.00
     8   1     0.02  -0.04  -0.00    -0.01   0.02  -0.00    -0.00  -0.00   0.00
     9   1     0.00  -0.02  -0.00     0.03  -0.00  -0.01    -0.00   0.00  -0.01
    10   1    -0.01  -0.00   0.01     0.05   0.01   0.00    -0.00  -0.02  -0.00
    11   1     0.02  -0.01  -0.02     0.47  -0.18  -0.07    -0.00   0.00  -0.00
    12   1     0.18   0.34   0.58     0.01  -0.03   0.00    -0.00   0.00   0.00
    13   1     0.40   0.56  -0.17    -0.01   0.01   0.00    -0.00  -0.00   0.00
    14   1    -0.00   0.00  -0.00    -0.02   0.00   0.00     0.05   0.87   0.50
                     31                     32                     33
                      A                      A                      A
 Frequencies --   3048.2506              3064.9254              3130.0591
 Red. masses --      1.0798                 1.0684                 1.0992
 Frc consts  --      5.9113                 5.9131                 6.3450
 IR Inten    --      3.8345                10.1433                 2.0962
 RamAct Fr= 1--    125.0225                31.3947                42.5401
  Dep-P Fr= 1--      0.1216                 0.0502                 0.4314
  Dep-U Fr= 1--      0.2169                 0.0955                 0.6027
 Alpha2 Fr= 1--      2.0752                 0.6199                 0.2806
 Beta2  Fr= 1--      4.5198                 0.4998                 4.2734
 AlphaG Fr= 1--     -1.0536                -0.0313                -0.1927
 Gamma2 Fr= 1--      3.3255                -1.5659                -3.2855
 Delta2 Fr= 1--      3.3267                -2.8984                -2.7179
 Raman1 Fr= 1--     500.090                125.579                170.161
 ROA1   Fr= 1--     425.701               -243.079               -402.376
 CID1   Fr= 1--       0.851                 -1.936                 -2.365
 Raman2 Fr= 1--      54.238                  5.998                 51.281
 ROA2   Fr= 1--      53.197                -14.395                -57.108
 CID2   Fr= 1--       0.981                 -2.400                 -1.114
 Raman3 Fr= 1--     108.475                 11.995                102.562
 ROA3   Fr= 1--     425.701               -243.079               -402.376
 CID3   Fr= 1--       3.924                -20.265                 -3.923
 RC180  Fr= 1--      -0.566                 -0.809                  0.205
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.01   0.03     0.01   0.03  -0.06    -0.01  -0.07  -0.05
     2  16    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     3   6     0.01  -0.00  -0.07     0.01  -0.00  -0.04     0.00  -0.00  -0.01
     4   7     0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     5   6     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     6   8     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     7   8    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     8   1    -0.13   0.04   0.88    -0.06   0.02   0.43    -0.01   0.00   0.07
     9   1     0.04  -0.02  -0.43    -0.06   0.04   0.80    -0.03   0.00   0.38
    10   1     0.01   0.11   0.04    -0.04  -0.36  -0.12     0.11   0.87   0.25
    11   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    12   1     0.01  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    13   1    -0.00  -0.00  -0.02    -0.00   0.01  -0.01    -0.00   0.00  -0.00
    14   1     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.01   0.02   0.01
                     34                     35                     36
                      A                      A                      A
 Frequencies --   3476.7495              3494.3801              3582.3460
 Red. masses --      1.0624                 1.0532                 1.0918
 Frc consts  --      7.5662                 7.5773                 8.2554
 IR Inten    --    208.7248                15.7905                 9.4150
 RamAct Fr= 1--     97.1399                44.3608                38.5240
  Dep-P Fr= 1--      0.0470                 0.1150                 0.5154
  Dep-U Fr= 1--      0.0898                 0.2063                 0.6802
 Alpha2 Fr= 1--      1.9325                 0.7485                 0.1767
 Beta2  Fr= 1--      1.4538                 1.5252                 4.3675
 AlphaG Fr= 1--      0.2177                 0.0472                -0.0412
 Gamma2 Fr= 1--      1.6998                -2.6464                 0.5739
 Delta2 Fr= 1--      1.9196                -1.6488                 0.0818
 Raman1 Fr= 1--     388.560                177.443                154.096
 ROA1   Fr= 1--     224.608               -306.814                 57.713
 CID1   Fr= 1--       0.578                 -1.729                  0.375
 Raman2 Fr= 1--      17.445                 18.303                 52.410
 ROA2   Fr= 1--      25.438                -50.322                 13.119
 CID2   Fr= 1--       1.458                 -2.749                  0.250
 Raman3 Fr= 1--      34.890                 36.606                104.820
 ROA3   Fr= 1--     224.608               -306.814                 57.713
 CID3   Fr= 1--       6.438                 -8.382                  0.551
 RC180  Fr= 1--      -0.820                 -0.587                  0.360
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     2  16    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     3   6    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     4   7    -0.01  -0.01  -0.01    -0.03  -0.03  -0.04    -0.03  -0.03   0.07
     5   6     0.00  -0.01  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     6   8    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     7   8    -0.02  -0.05   0.00     0.01   0.02  -0.00     0.00   0.00  -0.00
     8   1    -0.00  -0.00   0.00    -0.00   0.00   0.01     0.00  -0.00  -0.01
     9   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    10   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    11   1     0.36   0.86  -0.04    -0.14  -0.32   0.01    -0.01  -0.03   0.00
    12   1     0.13   0.11  -0.12     0.28   0.24  -0.27     0.57   0.45  -0.47
    13   1     0.05   0.04   0.28     0.15   0.10   0.79    -0.12  -0.07  -0.47
    14   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number 16 and mass  31.97207
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  7 and mass  14.00307
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  8 and mass  15.99491
 Atom     7 has atomic number  8 and mass  15.99491
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Molecular mass:   121.01975 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   401.395371542.154011879.83941
           X            0.99998  -0.00339   0.00585
           Y            0.00338   0.99999   0.00169
           Z           -0.00585  -0.00167   0.99998
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Rotational temperatures (Kelvin)      0.21578     0.05616     0.04608
 Rotational constants (GHZ):           4.49617     1.17027     0.96005
 Zero-point vibrational energy     283667.1 (Joules/Mol)
                                   67.79806 (Kcal/Mol)
 Warning -- explicit consideration of  10 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    101.65   134.27   257.54   318.87   382.98
          (Kelvin)            471.04   510.91   593.67   749.36   857.62
                             1002.58  1063.24  1131.27  1206.71  1238.24
                             1277.31  1377.12  1515.34  1624.91  1644.99
                             1739.46  1778.78  1840.65  1912.20  2014.92
                             2020.09  2112.46  2389.78  2643.80  3839.80
                             4385.75  4409.74  4503.46  5002.27  5027.63
                             5154.20
 
 Zero-point correction=                           0.108043 (Hartree/Particle)
 Thermal correction to Energy=                    0.116088
 Thermal correction to Enthalpy=                  0.117032
 Thermal correction to Gibbs Free Energy=         0.074926
 Sum of electronic and zero-point Energies=           -722.017911
 Sum of electronic and thermal Energies=              -722.009867
 Sum of electronic and thermal Enthalpies=            -722.008922
 Sum of electronic and thermal Free Energies=         -722.051029
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                   72.846             28.378             88.620
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.287
 Rotational               0.889              2.981             28.544
 Vibrational             71.069             22.417             19.789
 Vibration     1          0.598              1.968              4.135
 Vibration     2          0.602              1.954              3.589
 Vibration     3          0.629              1.868              2.339
 Vibration     4          0.648              1.808              1.946
 Vibration     5          0.672              1.735              1.621
 Vibration     6          0.711              1.621              1.273
 Vibration     7          0.731              1.565              1.143
 Vibration     8          0.776              1.443              0.917
 Vibration     9          0.876              1.204              0.608
 Vibration    10          0.954              1.040              0.456
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.343990D-34        -34.463454        -79.355035
 Total V=0       0.170952D+16         15.232873         35.074987
 Vib (Bot)       0.170236D-47        -47.768948       -109.992068
 Vib (Bot)    1  0.291886D+01          0.465214          1.071195
 Vib (Bot)    2  0.220192D+01          0.342801          0.789329
 Vib (Bot)    3  0.112248D+01          0.050177          0.115538
 Vib (Bot)    4  0.891890D+00         -0.049689         -0.114413
 Vib (Bot)    5  0.727456D+00         -0.138193         -0.318201
 Vib (Bot)    6  0.571632D+00         -0.242883         -0.559259
 Vib (Bot)    7  0.517836D+00         -0.285808         -0.658096
 Vib (Bot)    8  0.427932D+00         -0.368626         -0.848792
 Vib (Bot)    9  0.309677D+00         -0.509091         -1.172225
 Vib (Bot)   10  0.251514D+00         -0.599437         -1.380256
 Vib (V=0)       0.846017D+02          1.927379          4.437954
 Vib (V=0)    1  0.346138D+01          0.539249          1.241667
 Vib (V=0)    2  0.275797D+01          0.440590          1.014496
 Vib (V=0)    3  0.172880D+01          0.237745          0.547429
 Vib (V=0)    4  0.152248D+01          0.182552          0.420341
 Vib (V=0)    5  0.138272D+01          0.140734          0.324052
 Vib (V=0)    6  0.125945D+01          0.100181          0.230675
 Vib (V=0)    7  0.121983D+01          0.086299          0.198711
 Vib (V=0)    8  0.115812D+01          0.063755          0.146800
 Vib (V=0)    9  0.108813D+01          0.036682          0.084463
 Vib (V=0)   10  0.105970D+01          0.025181          0.057982
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.523285D+08          7.718738         17.773052
 Rotational      0.386150D+06          5.586756         12.863981
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3  33            333             2                            1      1     1 11 1 1 1111  1                                     
     5  44            100             6                            8      6     4 44 3 2 2211  0   9 888 77 6  5  5   4 33 2 21      
     8  97            364             6                            3      6     6 00 2 7 3042  5   5 863 83 9  9  2   1 52 6 27  97  
     2  47            058             9                            8      1     8 40 9 9 6939  3   7 819 69 7  6  1   3 57 6 29  31  
 
     X  XX            XXX             X                            X      X     X XX X X XXXX  X   X XXX XX X  X  X   X XX X XX  XX  
         X                                                         X      X       XX           X   X XXX                             
         X                                                         X              XX               X  XX                             
         X                                                         X              XX                  XX                             
         X                                                         X              XX                   X                             
         X                                                         X              X                    X                             
         X                                                         X              X                    X                             
         X                                                         X              X                                                  
         X                                                         X              X                                                  
         X                                                         X              X                                                  
         X                                                         X              X                                                  
         X                                                         X              X                                                  
                                                                   X              X                                                  
                                                                   X              X                                                  
                                                                   X              X                                                  
                                                                   X              X                                                  
                                                                   X              X                                                  
                                                                                  X                                                  
                                                                                  X                                                  
                                                                                  X                                                  
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000022119   -0.000000087    0.000005362
      2       16           0.000006556   -0.000001410   -0.000005605
      3        6          -0.000001517    0.000008395    0.000001420
      4        7          -0.000007511   -0.000003858   -0.000002947
      5        6           0.000011171    0.000017334    0.000002439
      6        8          -0.000005836   -0.000007661   -0.000000824
      7        8          -0.000000911   -0.000000662    0.000000780
      8        1           0.000002483   -0.000003618   -0.000000152
      9        1           0.000003703   -0.000001408   -0.000001393
     10        1           0.000006300   -0.000003366   -0.000000969
     11        1           0.000003689   -0.000005958   -0.000001285
     12        1           0.000004240    0.000001062    0.000000317
     13        1           0.000002594    0.000002197    0.000001761
     14        1          -0.000002842   -0.000000960    0.000001097
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000022119 RMS     0.000005895
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.914573D+02  0.461851D+00 -0.715952D+00
      2   0.461851D+00  0.774721D+02 -0.602715D+00
      3  -0.715952D+00 -0.602715D+00  0.604517D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.231610D+01 -0.311524D+01 -0.269664D+01
      2   0.238125D+01 -0.796100D+00  0.317533D+02
      3  -0.744126D+00 -0.127291D+02  0.320882D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.832188D+02 -0.410785D+01 -0.126223D+01
      2  -0.506500D+02  0.639104D+01  0.152155D+01
      3  -0.325688D+02 -0.228320D+01 -0.259318D+00
      4   0.658906D+01  0.101901D+02 -0.957463D+00
      5   0.351555D+01 -0.297393D+01  0.593244D+02
      6   0.127005D+01  0.533463D+01  0.112187D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    42 ND12= 1 LenFil=    1515:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.762729D+01 -0.231551D+01  0.146091D+01 -0.347245D+01  0.910119D+00
      2  -0.231551D+01  0.407501D+00  0.431438D+00  0.910119D+00  0.312802D+01
      3   0.146091D+01  0.431438D+00 -0.672665D+00 -0.462312D-01  0.114195D+01
                 6             7             8             9            10 
      1  -0.462312D-01  0.313453D+01 -0.433973D+00  0.145168D+01  0.155097D+02
      2   0.114195D+01 -0.433973D+00  0.132793D+01  0.758130D+00  0.193845D+00
      3  -0.172174D+00  0.145168D+01  0.758130D+00 -0.584624D+01 -0.207278D+01
                11            12            13            14            15 
      1   0.193845D+00 -0.207278D+01 -0.402810D+00  0.228586D+01 -0.206750D+00
      2   0.922080D+00 -0.573007D+00  0.228586D+01 -0.532544D+01 -0.319311D+01
      3  -0.573007D+00  0.238043D+01 -0.206750D+00 -0.319311D+01 -0.239050D+01
                16            17            18            19            20 
      1  -0.387912D+01 -0.513845D-01  0.371060D+01  0.298773D+01  0.253361D+01
      2  -0.513845D-01 -0.356702D+01 -0.160404D+01  0.253361D+01 -0.941627D+00
      3   0.371060D+01 -0.160404D+01 -0.199641D+01  0.207126D-01  0.453240D+00
                21            22            23            24            25 
      1   0.207126D-01  0.428831D+01  0.251207D+00 -0.159036D+00 -0.154871D+01
      2   0.453240D+00  0.251207D+00 -0.214449D+01 -0.630793D+00  0.111535D+01
      3  -0.681653D+00 -0.159036D+00 -0.630793D+00  0.687094D+00 -0.638256D+00
                26            27            28            29            30 
      1   0.111535D+01 -0.638256D+00 -0.186226D+01 -0.137712D+01  0.995257D+00
      2  -0.968014D+00  0.210963D+00 -0.137712D+01 -0.215280D+01  0.664989D-01
      3   0.210963D+00  0.552610D+01  0.995257D+00  0.664989D-01 -0.139340D+01
                31            32            33            34            35 
      1  -0.152546D+01 -0.223947D+01  0.379767D+00  0.154225D+01  0.125758D+00
      2  -0.223947D+01  0.381598D+01  0.498785D+00  0.125758D+00  0.526033D+00
      3   0.379767D+00  0.498785D+00 -0.102871D+01 -0.151774D+01 -0.942035D+00
                36            37            38            39            40 
      1  -0.151774D+01 -0.356679D+01 -0.218230D+01 -0.246495D+00 -0.157535D+01
      2  -0.942035D+00 -0.218230D+01  0.106785D+01 -0.685122D-02  0.245034D+01
      3  -0.369083D+01 -0.246495D+00 -0.685122D-02 -0.371124D+00 -0.133042D+00
                41            42            43            44            45 
      1   0.245034D+01 -0.133042D+00  0.323109D+00 -0.145033D+00 -0.222730D+00
      2   0.624953D+01 -0.451702D-01 -0.145033D+00  0.376506D+00  0.258107D+00
      3  -0.451702D-01  0.274051D+00 -0.222730D+00  0.258107D+00 -0.270723D+00
                46            47            48            49            50 
      1  -0.160848D+01 -0.317777D+01  0.649498D-01 -0.427657D+01 -0.295601D+01
      2  -0.317777D+01 -0.249297D+01 -0.153114D+00 -0.295601D+01 -0.131792D+02
      3   0.649498D-01 -0.153114D+00 -0.123026D+00  0.337639D-01  0.455260D-01
                51            52            53            54            55 
      1   0.337639D-01 -0.892938D-01  0.268519D-01 -0.108118D+01 -0.864854D+01
      2   0.455260D-01  0.268519D-01  0.161735D+00 -0.316533D+01  0.192423D+01
      3  -0.228768D+01 -0.108118D+01 -0.316533D+01  0.213199D+00  0.232476D+00
                56            57            58            59            60 
      1   0.192423D+01  0.232476D+00 -0.158410D+01 -0.387593D+01 -0.105186D+00
      2  -0.227171D+01 -0.203465D+00 -0.387593D+01 -0.112708D+01  0.146962D+00
      3  -0.203465D+00 -0.981395D+00 -0.105186D+00  0.146962D+00  0.473525D+00
                61            62            63            64            65 
      1   0.104023D+01 -0.207250D-01 -0.194656D+01  0.401752D+00 -0.543901D+00
      2  -0.207250D-01  0.103803D+00  0.117550D+01 -0.543901D+00  0.298736D+00
      3  -0.194656D+01  0.117550D+01  0.457051D+00 -0.888861D+00 -0.575348D-01
                66            67            68            69            70 
      1  -0.888861D+00 -0.113387D+01  0.950173D-01  0.825101D-01 -0.194800D+01
      2  -0.575348D-01  0.950173D-01  0.463529D+00 -0.954534D+00 -0.168811D+00
      3   0.827229D+00  0.825101D-01 -0.954534D+00 -0.285038D+00  0.185660D+00
                71            72            73            74            75 
      1  -0.168811D+00  0.185660D+00  0.426227D-01  0.130394D+00  0.873672D+00
      2  -0.138490D+01 -0.172347D-01  0.130394D+00 -0.103185D+00 -0.398222D-01
      3  -0.172347D-01 -0.712333D+01  0.873672D+00 -0.398222D-01 -0.562039D+00
                76            77            78            79            80 
      1   0.920549D+00 -0.279781D+00 -0.121792D+00  0.278162D+01  0.152558D+00
      2  -0.279781D+00 -0.632420D+00  0.842886D+00  0.152558D+00  0.124332D+01
      3  -0.121792D+00  0.842886D+00  0.217415D+00 -0.150507D+01 -0.121809D+01
                81            82            83            84            85 
      1  -0.150507D+01 -0.382115D+00 -0.515423D+00 -0.532491D+00 -0.200288D+01
      2  -0.121809D+01 -0.515423D+00 -0.575958D-01 -0.194417D-01 -0.614457D+00
      3   0.743819D+01 -0.532491D+00 -0.194417D-01 -0.753628D-01 -0.104088D+00
                86            87            88            89            90 
      1  -0.614457D+00 -0.104088D+00 -0.170120D+01 -0.207193D+00 -0.266851D+00
      2  -0.727356D+01 -0.591077D+00 -0.207193D+00 -0.136662D+01 -0.110649D+01
      3  -0.591077D+00 -0.109905D+01 -0.266851D+00 -0.110649D+01 -0.143190D+00
                91            92            93            94            95 
      1   0.165071D+01  0.190536D+01 -0.956261D-01  0.490025D+01  0.722068D-01
      2   0.190536D+01  0.510913D+00  0.124265D+00  0.722068D-01  0.477994D+01
      3  -0.956261D-01  0.124265D+00 -0.416336D+00 -0.192948D-02  0.369747D-01
                96            97            98            99           100 
      1  -0.192948D-02 -0.306220D+00 -0.645179D-01 -0.690586D+00  0.251497D+01
      2   0.369747D-01 -0.645179D-01 -0.170773D+00  0.561534D+00  0.170294D+01
      3   0.900430D+00 -0.690586D+00  0.561534D+00 -0.361820D-01 -0.815075D+00
               101           102           103           104           105 
      1   0.170294D+01 -0.815075D+00  0.256138D+01  0.195037D+01 -0.686876D+00
      2   0.302292D+01 -0.809938D+00  0.195037D+01  0.347410D+01 -0.853894D+00
      3  -0.809938D+00  0.112517D+01 -0.686876D+00 -0.853894D+00  0.113602D+01
               106           107           108           109           110 
      1  -0.228390D+01 -0.924147D+00  0.912518D+00 -0.199436D+00  0.499994D+00
      2  -0.924147D+00 -0.200132D+01  0.135298D+01  0.499994D+00  0.453689D+00
      3   0.912518D+00  0.135298D+01 -0.146086D+01  0.369083D+00  0.592809D+00
               111           112           113           114           115 
      1   0.369083D+00  0.603437D+00  0.229642D+00  0.385564D+00  0.169546D+01
      2   0.592809D+00  0.229642D+00  0.129652D+01  0.788412D+00  0.195700D+00
      3   0.562916D+00  0.385564D+00  0.788412D+00  0.968961D+00  0.949925D+00
               116           117           118           119           120 
      1   0.195700D+00  0.949925D+00  0.787413D+00  0.122166D+01  0.634271D+00
      2   0.236590D+01  0.193496D+01  0.122166D+01  0.133620D+01  0.194922D+00
      3   0.193496D+01  0.567278D+01  0.634271D+00  0.194922D+00  0.381265D+00
               121           122           123           124           125 
      1   0.269956D+01  0.172088D+01  0.683325D+00  0.123924D+01  0.399569D+00
      2   0.172088D+01  0.647457D+01  0.276708D+01  0.399569D+00  0.335342D+01
      3   0.683325D+00  0.276708D+01  0.260565D+01  0.658603D+00  0.180105D+01
               126 
      1   0.658603D+00
      2   0.180105D+01
      3   0.126046D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.146465D+01 -0.160741D+01  0.755696D+00 -0.863317D+00  0.563092D+01
      2   0.432307D+01  0.151937D+01 -0.201312D+01 -0.234486D+00  0.991529D+00
      3   0.462793D+01  0.219645D+01 -0.256998D+01  0.116059D+02 -0.359325D+01
                 6             7             8             9            10 
      1  -0.235631D+01  0.259658D+01  0.311102D+01 -0.457276D+01 -0.280864D-01
      2  -0.156065D+01 -0.957855D+01 -0.275837D+00 -0.232807D+01 -0.935696D+01
      3  -0.217987D+01 -0.151997D+01 -0.779151D+00 -0.137690D+01 -0.832959D+01
                11            12            13            14            15 
      1   0.213608D+01  0.974664D+00  0.227383D+01 -0.865888D+00 -0.579723D+01
      2  -0.171650D+01  0.118412D+02  0.157417D+00 -0.970005D+01 -0.803703D+01
      3  -0.773731D+01  0.228574D+01  0.912008D+01  0.167924D+02  0.970790D+01
                16            17            18            19            20 
      1   0.320061D+01  0.964634D+01  0.436280D+00 -0.204420D+01  0.580706D+00
      2  -0.575233D+01 -0.475358D+01 -0.431441D+01  0.342806D+01 -0.122966D+01
      3  -0.188321D+01  0.106894D+02  0.266623D+01  0.500834D+01 -0.664507D+01
                21            22            23            24            25 
      1  -0.867053D+00  0.101051D+01  0.512549D-02 -0.334385D+00 -0.211376D+01
      2   0.357133D+01  0.130974D+01 -0.248193D+01  0.325379D+01 -0.273340D+01
      3   0.683798D+00 -0.276507D+01 -0.273523D+01  0.493760D+00  0.968816D+00
                26            27            28            29            30 
      1   0.401431D+01 -0.809121D-01 -0.290361D+01 -0.827817D+00  0.448633D+01
      2   0.384980D+00 -0.428329D+01 -0.165483D+01  0.188935D+01  0.521897D+01
      3   0.162136D+01 -0.777158D-01 -0.587264D+01 -0.110886D+02  0.155382D+01
                31            32            33            34            35 
      1  -0.219756D+01 -0.299400D+01 -0.224922D+01  0.433180D+01  0.647846D+01
      2   0.330203D+00  0.105626D+01 -0.119765D+01 -0.202735D+01 -0.372831D+00
      3   0.834619D+00  0.227413D+00  0.879957D+00  0.461595D+01  0.225001D+00
                36            37            38            39            40 
      1   0.768904D+01  0.120279D+01  0.797723D+00 -0.831564D-01  0.171473D+01
      2   0.316344D+01 -0.383981D+01  0.120953D+00 -0.630430D+01 -0.129463D+01
      3  -0.427129D+01 -0.671760D+01  0.111013D+01 -0.209651D+00  0.699067D+00
                41            42            43            44            45 
      1   0.343256D+00  0.937349D+01  0.258699D+00  0.962235D+01 -0.284253D+00
      2   0.167596D+01 -0.211584D+01 -0.185495D+02 -0.211673D+01  0.339289D+01
      3   0.118780D+02 -0.134039D+01  0.297583D+01 -0.172918D+01  0.119949D+01
                46            47            48            49            50 
      1   0.162090D+00  0.236585D-01 -0.254533D+01 -0.721062D-01  0.896012D+00
      2  -0.116967D+00  0.281048D-01  0.515702D+01 -0.947644D+00 -0.103326D+01
      3  -0.193696D+01 -0.605203D+01 -0.502201D-01  0.103627D+02 -0.230789D+02
                51            52            53            54            55 
      1  -0.109788D+02 -0.617299D+00  0.771658D+00  0.541876D+00 -0.880506D+00
      2   0.537206D+01  0.296682D+01  0.587506D+01 -0.109195D+01 -0.187861D+00
      3   0.578376D+00 -0.184340D+01  0.480446D+00 -0.559467D+01 -0.402596D+01
                56            57            58            59            60 
      1  -0.264621D+00  0.284020D+01  0.138699D+00 -0.253547D+00 -0.382441D+01
      2  -0.140664D+00  0.966878D+01  0.102464D+01 -0.145274D+00 -0.159439D+01
      3  -0.168758D+02  0.129199D+00 -0.131351D+02 -0.892738D+01 -0.106961D+00
                61            62            63            64            65 
      1   0.401002D+00  0.201550D+01 -0.349432D+00  0.510782D+00 -0.808630D+00
      2   0.637559D+01 -0.121014D+01 -0.208639D+01  0.201608D+01 -0.201502D+00
      3  -0.389673D+00  0.190544D+01  0.230771D+01  0.376655D+00 -0.298489D+00
                66            67            68            69            70 
      1   0.167868D+00 -0.449959D+00 -0.461894D+00 -0.381061D+00  0.270082D+00
      2   0.156094D+00 -0.303482D+00  0.589512D+00 -0.136613D+00 -0.306877D+01
      3  -0.185199D+00  0.185389D+01  0.871686D-01 -0.340191D-01 -0.413324D+00
                71            72            73            74            75 
      1   0.260252D+01  0.116632D+01  0.728526D+00 -0.835939D+00 -0.809693D+00
      2  -0.344592D-01  0.251152D+01  0.179741D+01 -0.381335D+00  0.189029D+01
      3  -0.457503D+00  0.815882D+00  0.201329D+00 -0.180244D+01 -0.342314D+00
                76            77            78            79            80 
      1  -0.576114D+00  0.318413D+00 -0.237407D+00 -0.199057D+01  0.185010D+01
      2  -0.582902D+00  0.702080D+00  0.171499D+00 -0.456489D+01 -0.749026D+00
      3   0.375980D+00  0.695516D+00 -0.252672D+00 -0.267543D+01 -0.603738D+00
                81            82            83            84            85 
      1   0.654653D+01 -0.833462D+00 -0.924786D-01 -0.454482D+00 -0.176191D+00
      2   0.492562D+01 -0.427635D+00  0.213863D+00  0.957241D+00 -0.365706D-01
      3   0.246313D+01  0.288208D+01 -0.187891D-01  0.746757D+00  0.614817D+01
                86            87            88            89            90 
      1  -0.342801D+01 -0.309783D+01 -0.387216D+00 -0.857832D+00 -0.293599D+00
      2  -0.680293D-01 -0.793294D+00 -0.126158D+01 -0.757132D+00 -0.338260D+00
      3   0.846332D+01  0.827702D+00  0.268012D+01  0.188888D+01  0.135726D+01
                91            92            93            94            95 
      1   0.514893D+00  0.103943D+00  0.926127D+00 -0.468893D-01  0.392778D+00
      2  -0.591459D-01 -0.482036D+00 -0.120259D+01 -0.135287D+00 -0.365791D+00
      3   0.862996D+01  0.899443D+01  0.127183D+00  0.124483D+02  0.179307D+02
                96            97            98            99           100 
      1  -0.112393D+01  0.996635D+00  0.115098D+01  0.305709D+00  0.210172D+01
      2  -0.252559D+01 -0.164019D+01 -0.183710D+01  0.661079D-01  0.201332D+01
      3   0.542219D+00 -0.354783D+00 -0.998105D+00  0.153056D+00  0.925902D+01
               101           102           103           104           105 
      1   0.162941D+01 -0.344398D+01  0.152442D+01  0.183624D+01 -0.257394D+01
      2  -0.314481D+00 -0.248656D-01  0.923119D-01  0.562489D+00  0.556813D+00
      3   0.304191D+01 -0.204865D+01  0.775381D+01  0.451512D+01 -0.192841D+01
               106           107           108           109           110 
      1  -0.267789D+01 -0.116849D+01  0.241690D+01 -0.603127D+00 -0.393594D+00
      2  -0.214825D+01  0.402374D+00 -0.568047D+00 -0.114062D+01  0.886308D-01
      3  -0.666209D+01 -0.231267D+01  0.216069D+01  0.771043D+00  0.809002D+00
               111           112           113           114           115 
      1  -0.189582D+01 -0.515621D+00 -0.175794D+01 -0.257727D+01 -0.298118D+01
      2  -0.436882D+00 -0.117890D+00 -0.634636D+00  0.663571D-01 -0.334748D+01
      3   0.519874D+00  0.216805D+01  0.647913D+00  0.126144D+01  0.392377D+01
               116           117           118           119           120 
      1  -0.201972D+01 -0.120250D+02  0.607532D+00 -0.441022D+00 -0.513668D-01
      2  -0.473180D+00 -0.259077D+01  0.284802D+01  0.304345D+00  0.174698D+01
      3   0.145090D+01  0.363280D+01 -0.510455D+01 -0.437038D+01 -0.339059D+00
               121           122           123           124           125 
      1  -0.140655D+01  0.640089D+00 -0.406783D+01 -0.105656D+01  0.151977D+01
      2   0.738579D+00  0.885114D+01  0.854054D+01 -0.400021D+00  0.568714D+01
      3  -0.174042D+01 -0.226723D+02 -0.880670D+01  0.577400D+00 -0.113811D+02
               126 
      1  -0.179798D+01
      2   0.389928D+01
      3  -0.543568D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.406485D+02 -0.474838D+01  0.481307D+01 -0.144417D+02  0.107127D+02
      2   0.220525D+02  0.266946D+01 -0.368891D+01  0.904742D+01 -0.124118D+02
      3   0.185960D+02  0.207892D+01 -0.112415D+01  0.539428D+01  0.169911D+01
      4   0.272356D+00 -0.420832D+01  0.197853D+01  0.763397D+01  0.150885D+01
      5   0.670144D+01  0.315850D+01 -0.981671D+01 -0.687180D+00  0.189230D+01
      6  -0.414557D+01  0.123696D+01 -0.863114D+00  0.117955D+01 -0.358792D+01
                 6             7             8             9            10 
      1   0.113855D+01  0.109681D+02  0.959937D-01  0.136170D+02  0.943192D+02
      2  -0.270915D+01 -0.877620D+01 -0.262513D+01 -0.162985D+00 -0.520131D+02
      3   0.157060D+01 -0.219194D+01  0.252914D+01 -0.134540D+02 -0.423061D+02
      4   0.112143D+01 -0.260757D+01  0.136101D+01  0.144638D+01 -0.533638D+01
      5  -0.314165D+01  0.603915D+01  0.973444D+00 -0.521916D+01 -0.109747D+02
      6   0.173278D+01 -0.574471D+00  0.144177D+01  0.342645D+01 -0.370806D-01
                11            12            13            14            15 
      1   0.374768D+00 -0.123942D+02  0.361170D+01  0.129256D+01  0.245300D-01
      2  -0.243373D+01  0.550809D+01 -0.640315D+01  0.895805D+01 -0.312530D+01
      3   0.205896D+01  0.688613D+01  0.279145D+01 -0.102506D+02  0.310077D+01
      4   0.161128D+02 -0.433506D+01  0.243460D+02 -0.328895D+02 -0.155762D+02
      5  -0.510693D+01  0.272571D+02 -0.364927D+01 -0.169596D+02 -0.125334D+02
      6   0.450163D+00 -0.113867D+01 -0.199181D+01 -0.611770D+01  0.139998D+02
                16            17            18            19            20 
      1  -0.175908D+02  0.290021D+01  0.353497D+01 -0.897876D+00 -0.240703D+01
      2   0.752219D+01 -0.110412D+01 -0.198266D+02  0.462438D+01  0.120817D+01
      3   0.100686D+02 -0.179609D+01  0.162916D+02 -0.372651D+01  0.119886D+01
      4  -0.346768D+00 -0.170743D+02 -0.103341D+02 -0.557887D+01  0.719559D+01
      5   0.342671D+02 -0.100968D+02 -0.769891D+01  0.277076D+01 -0.128734D+00
      6  -0.370105D+01  0.113576D+02 -0.321293D+01  0.132725D+01 -0.130149D+01
                21            22            23            24            25 
      1  -0.424808D+00  0.765676D+01  0.101737D+01  0.147452D+01 -0.872897D+01
      2  -0.126403D+01 -0.328473D+01 -0.553323D+01 -0.475234D+00  0.402955D+01
      3   0.168884D+01 -0.437203D+01  0.451585D+01 -0.999282D+00  0.469942D+01
      4  -0.558913D+00 -0.713334D+01  0.857903D+01 -0.136746D+01 -0.294307D+01
      5   0.230267D+01 -0.481681D-01 -0.451785D+00  0.391475D+01 -0.132032D+01
      6  -0.124538D+00 -0.250359D+01 -0.530618D+00 -0.231079D+01  0.203225D-01
                26            27            28            29            30 
      1   0.911028D+00  0.550266D+01  0.163874D+02  0.712514D+01  0.664982D+00
      2  -0.368474D+01  0.835178D+01 -0.133855D+02 -0.102587D+02  0.202677D+01
      3   0.277372D+01 -0.138544D+02 -0.300200D+01  0.313352D+01 -0.269175D+01
      4  -0.350603D+00  0.452745D+00 -0.459573D+01 -0.342293D+01  0.291472D+01
      5  -0.303553D+00 -0.209709D+01  0.596913D+00  0.134343D+01  0.510377D+01
      6   0.119518D+01  0.132931D+01  0.496903D+01  0.224957D+01 -0.801008D+01
                31            32            33            34            35 
      1   0.244009D+01 -0.133632D+02 -0.111828D+01 -0.691865D+00  0.157758D+00
      2  -0.791866D+01  0.228387D+02  0.339336D+01  0.227447D+01  0.405986D+01
      3   0.547857D+01 -0.947553D+01 -0.227508D+01 -0.158260D+01 -0.421762D+01
      4   0.316489D+01 -0.131407D+02  0.129618D+01  0.355793D+01  0.126745D+01
      5   0.692248D+00  0.323930D+00 -0.266746D+01  0.417560D+01 -0.246478D+01
      6   0.272505D+01  0.415853D+01  0.160300D+01 -0.817580D+01 -0.194389D+01
                36            37            38            39            40 
      1   0.458768D+01 -0.943162D+01  0.125966D+02 -0.552712D+00 -0.323294D+00
      2  -0.239974D+01  0.307992D+01 -0.117201D+02 -0.153682D+01 -0.513602D+01
      3  -0.218794D+01  0.635170D+01 -0.876476D+00  0.208953D+01  0.545931D+01
      4  -0.653313D+01  0.825606D+01 -0.130040D+02  0.172243D+00 -0.244107D+02
      5   0.175935D+01 -0.860124D+00 -0.444494D+00 -0.842958D+01 -0.213131D+01
      6  -0.123913D+02 -0.626440D+00 -0.290777D+00  0.188588D+01 -0.642203D+00
                41            42            43            44            45 
      1   0.702733D+01  0.203240D+00  0.328383D+01 -0.312853D+01 -0.460946D+01
      2  -0.188042D+02  0.875980D-01 -0.295561D+01  0.215850D+01 -0.629364D+01
      3   0.117768D+02 -0.290838D+00 -0.328212D+00  0.970033D+00  0.109031D+02
      4  -0.289933D+02  0.724973D+00  0.139691D+00  0.258414D+01 -0.257868D+01
      5  -0.106799D-01 -0.176238D+01  0.303541D+01 -0.214186D+01  0.382415D+01
      6  -0.142533D+01 -0.133449D+02 -0.487897D+00  0.363793D+01  0.789342D+00
                46            47            48            49            50 
      1   0.118088D+02  0.666635D+01 -0.354144D+00  0.115133D+02 -0.235802D+02
      2  -0.186830D+01  0.224769D+01  0.521041D+00  0.197936D+01  0.442633D+02
      3  -0.994045D+01 -0.891403D+01 -0.166897D+00 -0.134927D+02 -0.206831D+02
      4   0.191303D+02  0.236752D+02  0.128658D-01  0.276337D+02  0.565576D+02
      5   0.506580D+00  0.314335D+00  0.804159D+01  0.134388D+01  0.750062D+00
      6   0.420236D+00  0.524372D+00  0.349748D+01  0.995394D+00  0.135774D+01
                51            52            53            54            55 
      1  -0.655421D+00 -0.600803D+00  0.195945D+00 -0.394242D+01  0.563108D+02
      2   0.102311D+00  0.970210D+00 -0.712035D+00  0.320579D+01 -0.335025D+02
      3   0.553111D+00 -0.369407D+00  0.516091D+00  0.736628D+00 -0.228083D+02
      4   0.134117D+00 -0.312461D+00 -0.107773D+01  0.133387D+02 -0.219580D+02
      5   0.102266D+02  0.967090D+01  0.136424D+02 -0.825720D+00 -0.534138D+00
      6   0.170146D+02  0.410367D+01  0.143425D+02 -0.416948D+00  0.465946D+00
                56            57            58            59            60 
      1  -0.997579D+01  0.123159D+00  0.568486D+01  0.131854D+02 -0.604721D+00
      2   0.340707D+01  0.482825D+00 -0.648686D+01 -0.515891D+01  0.153477D+00
      3   0.656872D+01 -0.605984D+00  0.801997D+00 -0.802649D+01  0.451244D+00
      4   0.203653D+02  0.347382D+00  0.216611D+02 -0.289342D+01 -0.904920D+00
      5  -0.998450D-01  0.178869D+02 -0.284919D+00 -0.100748D+01 -0.431653D+01
      6  -0.157345D+00 -0.466716D+01 -0.722885D+00  0.763073D+00  0.741244D+01
                61            62            63            64            65 
      1  -0.165501D+01  0.979588D+00  0.697215D+01  0.577144D+00  0.482699D+00
      2   0.162216D+01 -0.153493D-01 -0.889628D+01 -0.330600D+01 -0.157196D+00
      3   0.328499D-01 -0.964238D+00  0.192414D+01  0.272885D+01 -0.325503D+00
      4   0.963334D+00 -0.162009D+01 -0.573168D+01  0.257545D+00  0.289189D+00
      5   0.163930D+02 -0.639669D+01 -0.354689D+01 -0.513313D+00 -0.284607D-01
      6  -0.184904D+01  0.497126D+01  0.595539D+00 -0.539273D+00  0.266750D+00
                66            67            68            69            70 
      1   0.110037D+01  0.279465D+00 -0.438876D+01 -0.319295D+00  0.180586D+01
      2   0.856681D+00  0.548427D+00  0.972072D+00 -0.895536D+00  0.101275D+01
      3  -0.195705D+01 -0.827892D+00  0.341668D+01  0.121483D+01 -0.281862D+01
      4  -0.270250D+00  0.198415D+01 -0.706834D+00  0.235746D+00  0.104541D+01
      5   0.414235D+01  0.297047D+00  0.568639D-02 -0.215003D+00  0.387375D+01
      6   0.313233D+00  0.177750D+00  0.480803D+00  0.593848D+01  0.172206D+00
                71            72            73            74            75 
      1   0.119600D+01 -0.168012D+02  0.255097D+01  0.154013D+00  0.336934D+01
      2  -0.103048D+01 -0.120294D+02 -0.410605D+01 -0.131089D-01  0.501934D+00
      3  -0.165520D+00  0.288306D+02  0.155508D+01 -0.140904D+00 -0.387127D+01
      4   0.850985D+00 -0.675139D+00  0.371521D+00  0.253944D+01 -0.168241D+01
      5   0.834875D-01  0.141427D+01 -0.111204D+01 -0.118535D+01  0.661231D+01
      6   0.382128D+01 -0.243059D+01 -0.695095D+00 -0.101579D+01  0.885515D+00
                76            77            78            79            80 
      1   0.224312D+01 -0.499525D+01  0.870152D+00  0.103056D+02  0.448809D+01
      2  -0.100666D+01  0.255795D+01 -0.959632D+00 -0.194272D+01 -0.696343D+00
      3  -0.123646D+01  0.243730D+01  0.894802D-01 -0.836290D+01 -0.379175D+01
      4   0.647169D+00 -0.565195D+00  0.701643D+00 -0.110104D+01  0.656946D+00
      5  -0.919955D+00  0.509870D+00  0.193467D+00  0.195006D+01 -0.126632D+01
      6  -0.115364D+01 -0.174620D+01  0.515332D+01  0.145751D+01  0.573197D+01
                81            82            83            84            85 
      1  -0.241367D+02  0.223613D+01 -0.102846D+01 -0.920414D+00 -0.565532D+01
      2  -0.702395D+01  0.100826D+01  0.849394D+00  0.109319D+01  0.448648D+01
      3   0.311607D+02 -0.324440D+01  0.179070D+00 -0.172780D+00  0.116884D+01
      4  -0.825412D+00  0.431040D+00  0.444023D+01  0.285493D+00  0.311397D+01
      5   0.666885D+01 -0.675896D+00 -0.180607D+00  0.128847D+01 -0.806193D+00
      6  -0.978458D+01  0.865401D+00  0.814529D-01  0.168540D+00 -0.165969D+00
                86            87            88            89            90 
      1  -0.184777D+02 -0.126554D+01 -0.376256D+01 -0.356386D+01 -0.509248D+01
      2   0.271944D+02  0.275892D+01  0.269766D+01  0.432468D+01  0.261562D+01
      3  -0.871674D+01 -0.149339D+01  0.106490D+01 -0.760819D+00  0.247686D+01
      4  -0.102409D+02 -0.738530D+00 -0.902055D-01 -0.230482D+01 -0.138525D+01
      5  -0.108718D+01 -0.166291D+01  0.576093D+00 -0.146978D+01 -0.473175D+00
      6   0.407232D+00  0.452148D+01  0.631175D+00  0.544920D+01  0.143416D+01
                91            92            93            94            95 
      1  -0.134066D+02 -0.421727D+01 -0.125654D+00 -0.179279D+02 -0.640658D+01
      2   0.108906D+02  0.711724D+00  0.249341D+00  0.958276D+01  0.988616D+01
      3   0.251597D+01  0.350555D+01 -0.123688D+00  0.834515D+01 -0.347957D+01
      4  -0.373046D+01 -0.201546D+00 -0.384268D+00  0.718982D+01 -0.202823D+02
      5   0.425831D+00  0.282388D+00 -0.152877D+01  0.705481D+00  0.438320D+00
      6  -0.196068D+00 -0.101798D-02 -0.185140D+01  0.230211D+00 -0.108152D+00
                96            97            98            99           100 
      1   0.177824D+00  0.960167D+00  0.340291D+00 -0.474338D+00 -0.223306D+01
      2  -0.175046D+00 -0.586913D+00 -0.373167D+00 -0.138003D+00  0.588710D+01
      3  -0.277789D-02 -0.373255D+00  0.328758D-01  0.612341D+00 -0.365404D+01
      4  -0.644546D-01 -0.146682D+00  0.524291D+00 -0.294796D+01  0.723756D+01
      5  -0.460751D+01  0.338981D+01 -0.266458D+01  0.197107D+00 -0.163031D+01
      6   0.169756D+01 -0.164240D+01  0.251012D+01 -0.352307D+00 -0.491851D+01
               101           102           103           104           105 
      1  -0.849879D+01  0.181408D+01 -0.508331D+01 -0.949065D+01  0.241108D+01
      2   0.131590D+02 -0.341720D+01  0.842993D+01  0.157064D+02 -0.441875D+01
      3  -0.466022D+01  0.160312D+01 -0.334662D+01 -0.621580D+01  0.200767D+01
      4   0.892209D+01 -0.330211D+01  0.908900D+01  0.723532D+01 -0.280936D+01
      5  -0.180402D+01  0.165041D+01 -0.382096D+00 -0.146412D+01  0.126349D+01
      6  -0.526457D+01  0.600851D+01 -0.407864D+01 -0.577514D+01  0.543142D+01
               106           107           108           109           110 
      1   0.250853D+01  0.585801D+01 -0.521778D+01 -0.156662D+01 -0.211811D+01
      2  -0.347575D+01 -0.710535D+01  0.350282D+01  0.120536D+01  0.240714D+01
      3   0.967215D+00  0.124733D+01  0.171496D+01  0.361259D+00 -0.289030D+00
      4  -0.510001D+01 -0.367854D+01  0.412311D+01  0.141244D+00  0.262013D+01
      5   0.188753D+01  0.199694D+01 -0.209956D+01  0.818485D+00  0.843246D+00
      6   0.518526D+01  0.779817D+01 -0.636343D+01  0.118576D+01  0.275687D+01
               111           112           113           114           115 
      1  -0.199568D+01 -0.283976D+00 -0.445750D+01 -0.272140D+01 -0.757318D+00
      2   0.113221D+01  0.489213D+00  0.488478D+01  0.305382D+01 -0.314835D+00
      3   0.863472D+00 -0.205237D+00 -0.427275D+00 -0.332420D+00  0.107215D+01
      4   0.149197D+01  0.331736D+01  0.150255D+01  0.125877D+01  0.386303D+01
      5   0.160086D+01  0.231227D+00  0.411634D+00  0.935459D+00  0.224257D+01
      6   0.348238D+01  0.210014D+01  0.377329D+01  0.676477D+01  0.411135D+01
               116           117           118           119           120 
      1  -0.768382D+01 -0.117840D+02  0.593686D+01  0.621006D+01  0.392803D+01
      2   0.597855D+01 -0.565188D+00 -0.153836D+01 -0.238473D+01 -0.198782D+01
      3   0.170526D+01  0.123492D+02 -0.439849D+01 -0.382533D+01 -0.194022D+01
      4   0.126914D+01  0.237962D+01  0.556366D+01  0.121489D+02  0.272708D+01
      5   0.287829D+00  0.140660D+00  0.376454D+01  0.243383D+01  0.434038D+01
      6   0.986141D+01  0.214337D+02  0.192442D+01  0.464843D+00  0.413398D+00
               121           122           123           124           125 
      1   0.997829D+01  0.276378D+00  0.786573D+00  0.443245D+01 -0.234490D+01
      2  -0.371173D+01  0.794237D+01  0.240554D+01 -0.159966D+01  0.122694D+01
      3  -0.626657D+01 -0.821874D+01 -0.319211D+01 -0.283280D+01  0.111796D+01
      4   0.132203D+02  0.347908D+02  0.152721D+02  0.307841D+01  0.175921D+02
      5   0.563920D+01  0.166491D+02  0.143731D+02  0.527656D+01  0.102821D+02
      6   0.313470D+01  0.774768D+01  0.483781D+01  0.121101D+01  0.729762D+01
               126 
      1  -0.245725D+01
      2  -0.641390D+00
      3   0.309864D+01
      4   0.927080D+01
      5   0.724018D+01
      6   0.534079D+01
 Leave Link  716 at Mon Aug 16 21:30:01 2021, MaxMem=  5637144576 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.914573D+02  0.461851D+00 -0.715952D+00
      2   0.461851D+00  0.774721D+02 -0.602715D+00
      3  -0.715952D+00 -0.602715D+00  0.604517D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.231610D+01 -0.311524D+01 -0.269664D+01
      2   0.238125D+01 -0.796100D+00  0.317533D+02
      3  -0.744126D+00 -0.127291D+02  0.320882D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.832188D+02 -0.410785D+01 -0.126223D+01
      2  -0.506500D+02  0.639104D+01  0.152155D+01
      3  -0.325688D+02 -0.228320D+01 -0.259318D+00
      4   0.658906D+01  0.101901D+02 -0.957463D+00
      5   0.351555D+01 -0.297393D+01  0.593244D+02
      6   0.127005D+01  0.533463D+01  0.112187D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    42 ND12= 1 LenFil=    1515:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.762729D+01 -0.231551D+01  0.146091D+01 -0.347245D+01  0.910119D+00
      2  -0.231551D+01  0.407501D+00  0.431438D+00  0.910119D+00  0.312802D+01
      3   0.146091D+01  0.431438D+00 -0.672665D+00 -0.462312D-01  0.114195D+01
                 6             7             8             9            10 
      1  -0.462312D-01  0.313453D+01 -0.433973D+00  0.145168D+01  0.155097D+02
      2   0.114195D+01 -0.433973D+00  0.132793D+01  0.758130D+00  0.193845D+00
      3  -0.172174D+00  0.145168D+01  0.758130D+00 -0.584624D+01 -0.207278D+01
                11            12            13            14            15 
      1   0.193845D+00 -0.207278D+01 -0.402810D+00  0.228586D+01 -0.206750D+00
      2   0.922080D+00 -0.573007D+00  0.228586D+01 -0.532544D+01 -0.319311D+01
      3  -0.573007D+00  0.238043D+01 -0.206750D+00 -0.319311D+01 -0.239050D+01
                16            17            18            19            20 
      1  -0.387912D+01 -0.513845D-01  0.371060D+01  0.298773D+01  0.253361D+01
      2  -0.513845D-01 -0.356702D+01 -0.160404D+01  0.253361D+01 -0.941627D+00
      3   0.371060D+01 -0.160404D+01 -0.199641D+01  0.207126D-01  0.453240D+00
                21            22            23            24            25 
      1   0.207126D-01  0.428831D+01  0.251207D+00 -0.159036D+00 -0.154871D+01
      2   0.453240D+00  0.251207D+00 -0.214449D+01 -0.630793D+00  0.111535D+01
      3  -0.681653D+00 -0.159036D+00 -0.630793D+00  0.687094D+00 -0.638256D+00
                26            27            28            29            30 
      1   0.111535D+01 -0.638256D+00 -0.186226D+01 -0.137712D+01  0.995257D+00
      2  -0.968014D+00  0.210963D+00 -0.137712D+01 -0.215280D+01  0.664989D-01
      3   0.210963D+00  0.552610D+01  0.995257D+00  0.664989D-01 -0.139340D+01
                31            32            33            34            35 
      1  -0.152546D+01 -0.223947D+01  0.379767D+00  0.154225D+01  0.125758D+00
      2  -0.223947D+01  0.381598D+01  0.498785D+00  0.125758D+00  0.526033D+00
      3   0.379767D+00  0.498785D+00 -0.102871D+01 -0.151774D+01 -0.942035D+00
                36            37            38            39            40 
      1  -0.151774D+01 -0.356679D+01 -0.218230D+01 -0.246495D+00 -0.157535D+01
      2  -0.942035D+00 -0.218230D+01  0.106785D+01 -0.685122D-02  0.245034D+01
      3  -0.369083D+01 -0.246495D+00 -0.685122D-02 -0.371124D+00 -0.133042D+00
                41            42            43            44            45 
      1   0.245034D+01 -0.133042D+00  0.323109D+00 -0.145033D+00 -0.222730D+00
      2   0.624953D+01 -0.451702D-01 -0.145033D+00  0.376506D+00  0.258107D+00
      3  -0.451702D-01  0.274051D+00 -0.222730D+00  0.258107D+00 -0.270723D+00
                46            47            48            49            50 
      1  -0.160848D+01 -0.317777D+01  0.649498D-01 -0.427657D+01 -0.295601D+01
      2  -0.317777D+01 -0.249297D+01 -0.153114D+00 -0.295601D+01 -0.131792D+02
      3   0.649498D-01 -0.153114D+00 -0.123026D+00  0.337639D-01  0.455260D-01
                51            52            53            54            55 
      1   0.337639D-01 -0.892938D-01  0.268519D-01 -0.108118D+01 -0.864854D+01
      2   0.455260D-01  0.268519D-01  0.161735D+00 -0.316533D+01  0.192423D+01
      3  -0.228768D+01 -0.108118D+01 -0.316533D+01  0.213199D+00  0.232476D+00
                56            57            58            59            60 
      1   0.192423D+01  0.232476D+00 -0.158410D+01 -0.387593D+01 -0.105186D+00
      2  -0.227171D+01 -0.203465D+00 -0.387593D+01 -0.112708D+01  0.146962D+00
      3  -0.203465D+00 -0.981395D+00 -0.105186D+00  0.146962D+00  0.473525D+00
                61            62            63            64            65 
      1   0.104023D+01 -0.207250D-01 -0.194656D+01  0.401752D+00 -0.543901D+00
      2  -0.207250D-01  0.103803D+00  0.117550D+01 -0.543901D+00  0.298736D+00
      3  -0.194656D+01  0.117550D+01  0.457051D+00 -0.888861D+00 -0.575348D-01
                66            67            68            69            70 
      1  -0.888861D+00 -0.113387D+01  0.950173D-01  0.825101D-01 -0.194800D+01
      2  -0.575348D-01  0.950173D-01  0.463529D+00 -0.954534D+00 -0.168811D+00
      3   0.827229D+00  0.825101D-01 -0.954534D+00 -0.285038D+00  0.185660D+00
                71            72            73            74            75 
      1  -0.168811D+00  0.185660D+00  0.426227D-01  0.130394D+00  0.873672D+00
      2  -0.138490D+01 -0.172347D-01  0.130394D+00 -0.103185D+00 -0.398222D-01
      3  -0.172347D-01 -0.712333D+01  0.873672D+00 -0.398222D-01 -0.562039D+00
                76            77            78            79            80 
      1   0.920549D+00 -0.279781D+00 -0.121792D+00  0.278162D+01  0.152558D+00
      2  -0.279781D+00 -0.632420D+00  0.842886D+00  0.152558D+00  0.124332D+01
      3  -0.121792D+00  0.842886D+00  0.217415D+00 -0.150507D+01 -0.121809D+01
                81            82            83            84            85 
      1  -0.150507D+01 -0.382115D+00 -0.515423D+00 -0.532491D+00 -0.200288D+01
      2  -0.121809D+01 -0.515423D+00 -0.575958D-01 -0.194417D-01 -0.614457D+00
      3   0.743819D+01 -0.532491D+00 -0.194417D-01 -0.753628D-01 -0.104088D+00
                86            87            88            89            90 
      1  -0.614457D+00 -0.104088D+00 -0.170120D+01 -0.207193D+00 -0.266851D+00
      2  -0.727356D+01 -0.591077D+00 -0.207193D+00 -0.136662D+01 -0.110649D+01
      3  -0.591077D+00 -0.109905D+01 -0.266851D+00 -0.110649D+01 -0.143190D+00
                91            92            93            94            95 
      1   0.165071D+01  0.190536D+01 -0.956261D-01  0.490025D+01  0.722068D-01
      2   0.190536D+01  0.510913D+00  0.124265D+00  0.722068D-01  0.477994D+01
      3  -0.956261D-01  0.124265D+00 -0.416336D+00 -0.192948D-02  0.369747D-01
                96            97            98            99           100 
      1  -0.192948D-02 -0.306220D+00 -0.645179D-01 -0.690586D+00  0.251497D+01
      2   0.369747D-01 -0.645179D-01 -0.170773D+00  0.561534D+00  0.170294D+01
      3   0.900430D+00 -0.690586D+00  0.561534D+00 -0.361820D-01 -0.815075D+00
               101           102           103           104           105 
      1   0.170294D+01 -0.815075D+00  0.256138D+01  0.195037D+01 -0.686876D+00
      2   0.302292D+01 -0.809938D+00  0.195037D+01  0.347410D+01 -0.853894D+00
      3  -0.809938D+00  0.112517D+01 -0.686876D+00 -0.853894D+00  0.113602D+01
               106           107           108           109           110 
      1  -0.228390D+01 -0.924147D+00  0.912518D+00 -0.199436D+00  0.499994D+00
      2  -0.924147D+00 -0.200132D+01  0.135298D+01  0.499994D+00  0.453689D+00
      3   0.912518D+00  0.135298D+01 -0.146086D+01  0.369083D+00  0.592809D+00
               111           112           113           114           115 
      1   0.369083D+00  0.603437D+00  0.229642D+00  0.385564D+00  0.169546D+01
      2   0.592809D+00  0.229642D+00  0.129652D+01  0.788412D+00  0.195700D+00
      3   0.562916D+00  0.385564D+00  0.788412D+00  0.968961D+00  0.949925D+00
               116           117           118           119           120 
      1   0.195700D+00  0.949925D+00  0.787413D+00  0.122166D+01  0.634271D+00
      2   0.236590D+01  0.193496D+01  0.122166D+01  0.133620D+01  0.194922D+00
      3   0.193496D+01  0.567278D+01  0.634271D+00  0.194922D+00  0.381265D+00
               121           122           123           124           125 
      1   0.269956D+01  0.172088D+01  0.683325D+00  0.123924D+01  0.399569D+00
      2   0.172088D+01  0.647457D+01  0.276708D+01  0.399569D+00  0.335342D+01
      3   0.683325D+00  0.276708D+01  0.260565D+01  0.658603D+00  0.180105D+01
               126 
      1   0.658603D+00
      2   0.180105D+01
      3   0.126046D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.146465D+01 -0.160741D+01  0.755696D+00 -0.863317D+00  0.563092D+01
      2   0.432307D+01  0.151937D+01 -0.201312D+01 -0.234486D+00  0.991529D+00
      3   0.462793D+01  0.219645D+01 -0.256998D+01  0.116059D+02 -0.359325D+01
                 6             7             8             9            10 
      1  -0.235631D+01  0.259658D+01  0.311102D+01 -0.457276D+01 -0.280864D-01
      2  -0.156065D+01 -0.957855D+01 -0.275837D+00 -0.232807D+01 -0.935696D+01
      3  -0.217987D+01 -0.151997D+01 -0.779151D+00 -0.137690D+01 -0.832959D+01
                11            12            13            14            15 
      1   0.213608D+01  0.974664D+00  0.227383D+01 -0.865888D+00 -0.579723D+01
      2  -0.171650D+01  0.118412D+02  0.157417D+00 -0.970005D+01 -0.803703D+01
      3  -0.773731D+01  0.228574D+01  0.912008D+01  0.167924D+02  0.970790D+01
                16            17            18            19            20 
      1   0.320061D+01  0.964634D+01  0.436280D+00 -0.204420D+01  0.580706D+00
      2  -0.575233D+01 -0.475358D+01 -0.431441D+01  0.342806D+01 -0.122966D+01
      3  -0.188321D+01  0.106894D+02  0.266623D+01  0.500834D+01 -0.664507D+01
                21            22            23            24            25 
      1  -0.867053D+00  0.101051D+01  0.512549D-02 -0.334385D+00 -0.211376D+01
      2   0.357133D+01  0.130974D+01 -0.248193D+01  0.325379D+01 -0.273340D+01
      3   0.683798D+00 -0.276507D+01 -0.273523D+01  0.493760D+00  0.968816D+00
                26            27            28            29            30 
      1   0.401431D+01 -0.809121D-01 -0.290361D+01 -0.827817D+00  0.448633D+01
      2   0.384980D+00 -0.428329D+01 -0.165483D+01  0.188935D+01  0.521897D+01
      3   0.162136D+01 -0.777158D-01 -0.587264D+01 -0.110886D+02  0.155382D+01
                31            32            33            34            35 
      1  -0.219756D+01 -0.299400D+01 -0.224922D+01  0.433180D+01  0.647846D+01
      2   0.330203D+00  0.105626D+01 -0.119765D+01 -0.202735D+01 -0.372831D+00
      3   0.834619D+00  0.227413D+00  0.879957D+00  0.461595D+01  0.225001D+00
                36            37            38            39            40 
      1   0.768904D+01  0.120279D+01  0.797723D+00 -0.831564D-01  0.171473D+01
      2   0.316344D+01 -0.383981D+01  0.120953D+00 -0.630430D+01 -0.129463D+01
      3  -0.427129D+01 -0.671760D+01  0.111013D+01 -0.209651D+00  0.699067D+00
                41            42            43            44            45 
      1   0.343256D+00  0.937349D+01  0.258699D+00  0.962235D+01 -0.284253D+00
      2   0.167596D+01 -0.211584D+01 -0.185495D+02 -0.211673D+01  0.339289D+01
      3   0.118780D+02 -0.134039D+01  0.297583D+01 -0.172918D+01  0.119949D+01
                46            47            48            49            50 
      1   0.162090D+00  0.236585D-01 -0.254533D+01 -0.721062D-01  0.896012D+00
      2  -0.116967D+00  0.281048D-01  0.515702D+01 -0.947644D+00 -0.103326D+01
      3  -0.193696D+01 -0.605203D+01 -0.502201D-01  0.103627D+02 -0.230789D+02
                51            52            53            54            55 
      1  -0.109788D+02 -0.617299D+00  0.771658D+00  0.541876D+00 -0.880506D+00
      2   0.537206D+01  0.296682D+01  0.587506D+01 -0.109195D+01 -0.187861D+00
      3   0.578376D+00 -0.184340D+01  0.480446D+00 -0.559467D+01 -0.402596D+01
                56            57            58            59            60 
      1  -0.264621D+00  0.284020D+01  0.138699D+00 -0.253547D+00 -0.382441D+01
      2  -0.140664D+00  0.966878D+01  0.102464D+01 -0.145274D+00 -0.159439D+01
      3  -0.168758D+02  0.129199D+00 -0.131351D+02 -0.892738D+01 -0.106961D+00
                61            62            63            64            65 
      1   0.401002D+00  0.201550D+01 -0.349432D+00  0.510782D+00 -0.808630D+00
      2   0.637559D+01 -0.121014D+01 -0.208639D+01  0.201608D+01 -0.201502D+00
      3  -0.389673D+00  0.190544D+01  0.230771D+01  0.376655D+00 -0.298489D+00
                66            67            68            69            70 
      1   0.167868D+00 -0.449959D+00 -0.461894D+00 -0.381061D+00  0.270082D+00
      2   0.156094D+00 -0.303482D+00  0.589512D+00 -0.136613D+00 -0.306877D+01
      3  -0.185199D+00  0.185389D+01  0.871686D-01 -0.340191D-01 -0.413324D+00
                71            72            73            74            75 
      1   0.260252D+01  0.116632D+01  0.728526D+00 -0.835939D+00 -0.809693D+00
      2  -0.344592D-01  0.251152D+01  0.179741D+01 -0.381335D+00  0.189029D+01
      3  -0.457503D+00  0.815882D+00  0.201329D+00 -0.180244D+01 -0.342314D+00
                76            77            78            79            80 
      1  -0.576114D+00  0.318413D+00 -0.237407D+00 -0.199057D+01  0.185010D+01
      2  -0.582902D+00  0.702080D+00  0.171499D+00 -0.456489D+01 -0.749026D+00
      3   0.375980D+00  0.695516D+00 -0.252672D+00 -0.267543D+01 -0.603738D+00
                81            82            83            84            85 
      1   0.654653D+01 -0.833462D+00 -0.924786D-01 -0.454482D+00 -0.176191D+00
      2   0.492562D+01 -0.427635D+00  0.213863D+00  0.957241D+00 -0.365706D-01
      3   0.246313D+01  0.288208D+01 -0.187891D-01  0.746757D+00  0.614817D+01
                86            87            88            89            90 
      1  -0.342801D+01 -0.309783D+01 -0.387216D+00 -0.857832D+00 -0.293599D+00
      2  -0.680293D-01 -0.793294D+00 -0.126158D+01 -0.757132D+00 -0.338260D+00
      3   0.846332D+01  0.827702D+00  0.268012D+01  0.188888D+01  0.135726D+01
                91            92            93            94            95 
      1   0.514893D+00  0.103943D+00  0.926127D+00 -0.468893D-01  0.392778D+00
      2  -0.591459D-01 -0.482036D+00 -0.120259D+01 -0.135287D+00 -0.365791D+00
      3   0.862996D+01  0.899443D+01  0.127183D+00  0.124483D+02  0.179307D+02
                96            97            98            99           100 
      1  -0.112393D+01  0.996635D+00  0.115098D+01  0.305709D+00  0.210172D+01
      2  -0.252559D+01 -0.164019D+01 -0.183710D+01  0.661079D-01  0.201332D+01
      3   0.542219D+00 -0.354783D+00 -0.998105D+00  0.153056D+00  0.925902D+01
               101           102           103           104           105 
      1   0.162941D+01 -0.344398D+01  0.152442D+01  0.183624D+01 -0.257394D+01
      2  -0.314481D+00 -0.248656D-01  0.923119D-01  0.562489D+00  0.556813D+00
      3   0.304191D+01 -0.204865D+01  0.775381D+01  0.451512D+01 -0.192841D+01
               106           107           108           109           110 
      1  -0.267789D+01 -0.116849D+01  0.241690D+01 -0.603127D+00 -0.393594D+00
      2  -0.214825D+01  0.402374D+00 -0.568047D+00 -0.114062D+01  0.886308D-01
      3  -0.666209D+01 -0.231267D+01  0.216069D+01  0.771043D+00  0.809002D+00
               111           112           113           114           115 
      1  -0.189582D+01 -0.515621D+00 -0.175794D+01 -0.257727D+01 -0.298118D+01
      2  -0.436882D+00 -0.117890D+00 -0.634636D+00  0.663571D-01 -0.334748D+01
      3   0.519874D+00  0.216805D+01  0.647913D+00  0.126144D+01  0.392377D+01
               116           117           118           119           120 
      1  -0.201972D+01 -0.120250D+02  0.607532D+00 -0.441022D+00 -0.513668D-01
      2  -0.473180D+00 -0.259077D+01  0.284802D+01  0.304345D+00  0.174698D+01
      3   0.145090D+01  0.363280D+01 -0.510455D+01 -0.437038D+01 -0.339059D+00
               121           122           123           124           125 
      1  -0.140655D+01  0.640089D+00 -0.406783D+01 -0.105656D+01  0.151977D+01
      2   0.738579D+00  0.885114D+01  0.854054D+01 -0.400021D+00  0.568714D+01
      3  -0.174042D+01 -0.226723D+02 -0.880670D+01  0.577400D+00 -0.113811D+02
               126 
      1  -0.179798D+01
      2   0.389928D+01
      3  -0.543568D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.406485D+02 -0.474838D+01  0.481307D+01 -0.144417D+02  0.107127D+02
      2   0.220525D+02  0.266946D+01 -0.368891D+01  0.904742D+01 -0.124118D+02
      3   0.185960D+02  0.207892D+01 -0.112415D+01  0.539428D+01  0.169911D+01
      4   0.272356D+00 -0.420832D+01  0.197853D+01  0.763397D+01  0.150885D+01
      5   0.670144D+01  0.315850D+01 -0.981671D+01 -0.687180D+00  0.189230D+01
      6  -0.414557D+01  0.123696D+01 -0.863114D+00  0.117955D+01 -0.358792D+01
                 6             7             8             9            10 
      1   0.113855D+01  0.109681D+02  0.959937D-01  0.136170D+02  0.943192D+02
      2  -0.270915D+01 -0.877620D+01 -0.262513D+01 -0.162985D+00 -0.520131D+02
      3   0.157060D+01 -0.219194D+01  0.252914D+01 -0.134540D+02 -0.423061D+02
      4   0.112143D+01 -0.260757D+01  0.136101D+01  0.144638D+01 -0.533638D+01
      5  -0.314165D+01  0.603915D+01  0.973444D+00 -0.521916D+01 -0.109747D+02
      6   0.173278D+01 -0.574471D+00  0.144177D+01  0.342645D+01 -0.370806D-01
                11            12            13            14            15 
      1   0.374768D+00 -0.123942D+02  0.361170D+01  0.129256D+01  0.245300D-01
      2  -0.243373D+01  0.550809D+01 -0.640315D+01  0.895805D+01 -0.312530D+01
      3   0.205896D+01  0.688613D+01  0.279145D+01 -0.102506D+02  0.310077D+01
      4   0.161128D+02 -0.433506D+01  0.243460D+02 -0.328895D+02 -0.155762D+02
      5  -0.510693D+01  0.272571D+02 -0.364927D+01 -0.169596D+02 -0.125334D+02
      6   0.450163D+00 -0.113867D+01 -0.199181D+01 -0.611770D+01  0.139998D+02
                16            17            18            19            20 
      1  -0.175908D+02  0.290021D+01  0.353497D+01 -0.897876D+00 -0.240703D+01
      2   0.752219D+01 -0.110412D+01 -0.198266D+02  0.462438D+01  0.120817D+01
      3   0.100686D+02 -0.179609D+01  0.162916D+02 -0.372651D+01  0.119886D+01
      4  -0.346768D+00 -0.170743D+02 -0.103341D+02 -0.557887D+01  0.719559D+01
      5   0.342671D+02 -0.100968D+02 -0.769891D+01  0.277076D+01 -0.128734D+00
      6  -0.370105D+01  0.113576D+02 -0.321293D+01  0.132725D+01 -0.130149D+01
                21            22            23            24            25 
      1  -0.424808D+00  0.765676D+01  0.101737D+01  0.147452D+01 -0.872897D+01
      2  -0.126403D+01 -0.328473D+01 -0.553323D+01 -0.475234D+00  0.402955D+01
      3   0.168884D+01 -0.437203D+01  0.451585D+01 -0.999282D+00  0.469942D+01
      4  -0.558913D+00 -0.713334D+01  0.857903D+01 -0.136746D+01 -0.294307D+01
      5   0.230267D+01 -0.481681D-01 -0.451785D+00  0.391475D+01 -0.132032D+01
      6  -0.124538D+00 -0.250359D+01 -0.530618D+00 -0.231079D+01  0.203225D-01
                26            27            28            29            30 
      1   0.911028D+00  0.550266D+01  0.163874D+02  0.712514D+01  0.664982D+00
      2  -0.368474D+01  0.835178D+01 -0.133855D+02 -0.102587D+02  0.202677D+01
      3   0.277372D+01 -0.138544D+02 -0.300200D+01  0.313352D+01 -0.269175D+01
      4  -0.350603D+00  0.452745D+00 -0.459573D+01 -0.342293D+01  0.291472D+01
      5  -0.303553D+00 -0.209709D+01  0.596913D+00  0.134343D+01  0.510377D+01
      6   0.119518D+01  0.132931D+01  0.496903D+01  0.224957D+01 -0.801008D+01
                31            32            33            34            35 
      1   0.244009D+01 -0.133632D+02 -0.111828D+01 -0.691865D+00  0.157758D+00
      2  -0.791866D+01  0.228387D+02  0.339336D+01  0.227447D+01  0.405986D+01
      3   0.547857D+01 -0.947553D+01 -0.227508D+01 -0.158260D+01 -0.421762D+01
      4   0.316489D+01 -0.131407D+02  0.129618D+01  0.355793D+01  0.126745D+01
      5   0.692248D+00  0.323930D+00 -0.266746D+01  0.417560D+01 -0.246478D+01
      6   0.272505D+01  0.415853D+01  0.160300D+01 -0.817580D+01 -0.194389D+01
                36            37            38            39            40 
      1   0.458768D+01 -0.943162D+01  0.125966D+02 -0.552712D+00 -0.323294D+00
      2  -0.239974D+01  0.307992D+01 -0.117201D+02 -0.153682D+01 -0.513602D+01
      3  -0.218794D+01  0.635170D+01 -0.876476D+00  0.208953D+01  0.545931D+01
      4  -0.653313D+01  0.825606D+01 -0.130040D+02  0.172243D+00 -0.244107D+02
      5   0.175935D+01 -0.860124D+00 -0.444494D+00 -0.842958D+01 -0.213131D+01
      6  -0.123913D+02 -0.626440D+00 -0.290777D+00  0.188588D+01 -0.642203D+00
                41            42            43            44            45 
      1   0.702733D+01  0.203240D+00  0.328383D+01 -0.312853D+01 -0.460946D+01
      2  -0.188042D+02  0.875980D-01 -0.295561D+01  0.215850D+01 -0.629364D+01
      3   0.117768D+02 -0.290838D+00 -0.328212D+00  0.970033D+00  0.109031D+02
      4  -0.289933D+02  0.724973D+00  0.139691D+00  0.258414D+01 -0.257868D+01
      5  -0.106799D-01 -0.176238D+01  0.303541D+01 -0.214186D+01  0.382415D+01
      6  -0.142533D+01 -0.133449D+02 -0.487897D+00  0.363793D+01  0.789342D+00
                46            47            48            49            50 
      1   0.118088D+02  0.666635D+01 -0.354144D+00  0.115133D+02 -0.235802D+02
      2  -0.186830D+01  0.224769D+01  0.521041D+00  0.197936D+01  0.442633D+02
      3  -0.994045D+01 -0.891403D+01 -0.166897D+00 -0.134927D+02 -0.206831D+02
      4   0.191303D+02  0.236752D+02  0.128658D-01  0.276337D+02  0.565576D+02
      5   0.506580D+00  0.314335D+00  0.804159D+01  0.134388D+01  0.750062D+00
      6   0.420236D+00  0.524372D+00  0.349748D+01  0.995394D+00  0.135774D+01
                51            52            53            54            55 
      1  -0.655421D+00 -0.600803D+00  0.195945D+00 -0.394242D+01  0.563108D+02
      2   0.102311D+00  0.970210D+00 -0.712035D+00  0.320579D+01 -0.335025D+02
      3   0.553111D+00 -0.369407D+00  0.516091D+00  0.736628D+00 -0.228083D+02
      4   0.134117D+00 -0.312461D+00 -0.107773D+01  0.133387D+02 -0.219580D+02
      5   0.102266D+02  0.967090D+01  0.136424D+02 -0.825720D+00 -0.534138D+00
      6   0.170146D+02  0.410367D+01  0.143425D+02 -0.416948D+00  0.465946D+00
                56            57            58            59            60 
      1  -0.997579D+01  0.123159D+00  0.568486D+01  0.131854D+02 -0.604721D+00
      2   0.340707D+01  0.482825D+00 -0.648686D+01 -0.515891D+01  0.153477D+00
      3   0.656872D+01 -0.605984D+00  0.801997D+00 -0.802649D+01  0.451244D+00
      4   0.203653D+02  0.347382D+00  0.216611D+02 -0.289342D+01 -0.904920D+00
      5  -0.998450D-01  0.178869D+02 -0.284919D+00 -0.100748D+01 -0.431653D+01
      6  -0.157345D+00 -0.466716D+01 -0.722885D+00  0.763073D+00  0.741244D+01
                61            62            63            64            65 
      1  -0.165501D+01  0.979588D+00  0.697215D+01  0.577144D+00  0.482699D+00
      2   0.162216D+01 -0.153493D-01 -0.889628D+01 -0.330600D+01 -0.157196D+00
      3   0.328499D-01 -0.964238D+00  0.192414D+01  0.272885D+01 -0.325503D+00
      4   0.963334D+00 -0.162009D+01 -0.573168D+01  0.257545D+00  0.289189D+00
      5   0.163930D+02 -0.639669D+01 -0.354689D+01 -0.513313D+00 -0.284607D-01
      6  -0.184904D+01  0.497126D+01  0.595539D+00 -0.539273D+00  0.266750D+00
                66            67            68            69            70 
      1   0.110037D+01  0.279465D+00 -0.438876D+01 -0.319295D+00  0.180586D+01
      2   0.856681D+00  0.548427D+00  0.972072D+00 -0.895536D+00  0.101275D+01
      3  -0.195705D+01 -0.827892D+00  0.341668D+01  0.121483D+01 -0.281862D+01
      4  -0.270250D+00  0.198415D+01 -0.706834D+00  0.235746D+00  0.104541D+01
      5   0.414235D+01  0.297047D+00  0.568639D-02 -0.215003D+00  0.387375D+01
      6   0.313233D+00  0.177750D+00  0.480803D+00  0.593848D+01  0.172206D+00
                71            72            73            74            75 
      1   0.119600D+01 -0.168012D+02  0.255097D+01  0.154013D+00  0.336934D+01
      2  -0.103048D+01 -0.120294D+02 -0.410605D+01 -0.131089D-01  0.501934D+00
      3  -0.165520D+00  0.288306D+02  0.155508D+01 -0.140904D+00 -0.387127D+01
      4   0.850985D+00 -0.675139D+00  0.371521D+00  0.253944D+01 -0.168241D+01
      5   0.834875D-01  0.141427D+01 -0.111204D+01 -0.118535D+01  0.661231D+01
      6   0.382128D+01 -0.243059D+01 -0.695095D+00 -0.101579D+01  0.885515D+00
                76            77            78            79            80 
      1   0.224312D+01 -0.499525D+01  0.870152D+00  0.103056D+02  0.448809D+01
      2  -0.100666D+01  0.255795D+01 -0.959632D+00 -0.194272D+01 -0.696343D+00
      3  -0.123646D+01  0.243730D+01  0.894802D-01 -0.836290D+01 -0.379175D+01
      4   0.647169D+00 -0.565195D+00  0.701643D+00 -0.110104D+01  0.656946D+00
      5  -0.919955D+00  0.509870D+00  0.193467D+00  0.195006D+01 -0.126632D+01
      6  -0.115364D+01 -0.174620D+01  0.515332D+01  0.145751D+01  0.573197D+01
                81            82            83            84            85 
      1  -0.241367D+02  0.223613D+01 -0.102846D+01 -0.920414D+00 -0.565532D+01
      2  -0.702395D+01  0.100826D+01  0.849394D+00  0.109319D+01  0.448648D+01
      3   0.311607D+02 -0.324440D+01  0.179070D+00 -0.172780D+00  0.116884D+01
      4  -0.825412D+00  0.431040D+00  0.444023D+01  0.285493D+00  0.311397D+01
      5   0.666885D+01 -0.675896D+00 -0.180607D+00  0.128847D+01 -0.806193D+00
      6  -0.978458D+01  0.865401D+00  0.814529D-01  0.168540D+00 -0.165969D+00
                86            87            88            89            90 
      1  -0.184777D+02 -0.126554D+01 -0.376256D+01 -0.356386D+01 -0.509248D+01
      2   0.271944D+02  0.275892D+01  0.269766D+01  0.432468D+01  0.261562D+01
      3  -0.871674D+01 -0.149339D+01  0.106490D+01 -0.760819D+00  0.247686D+01
      4  -0.102409D+02 -0.738530D+00 -0.902055D-01 -0.230482D+01 -0.138525D+01
      5  -0.108718D+01 -0.166291D+01  0.576093D+00 -0.146978D+01 -0.473175D+00
      6   0.407232D+00  0.452148D+01  0.631175D+00  0.544920D+01  0.143416D+01
                91            92            93            94            95 
      1  -0.134066D+02 -0.421727D+01 -0.125654D+00 -0.179279D+02 -0.640658D+01
      2   0.108906D+02  0.711724D+00  0.249341D+00  0.958276D+01  0.988616D+01
      3   0.251597D+01  0.350555D+01 -0.123688D+00  0.834515D+01 -0.347957D+01
      4  -0.373046D+01 -0.201546D+00 -0.384268D+00  0.718982D+01 -0.202823D+02
      5   0.425831D+00  0.282388D+00 -0.152877D+01  0.705481D+00  0.438320D+00
      6  -0.196068D+00 -0.101798D-02 -0.185140D+01  0.230211D+00 -0.108152D+00
                96            97            98            99           100 
      1   0.177824D+00  0.960167D+00  0.340291D+00 -0.474338D+00 -0.223306D+01
      2  -0.175046D+00 -0.586913D+00 -0.373167D+00 -0.138003D+00  0.588710D+01
      3  -0.277789D-02 -0.373255D+00  0.328758D-01  0.612341D+00 -0.365404D+01
      4  -0.644546D-01 -0.146682D+00  0.524291D+00 -0.294796D+01  0.723756D+01
      5  -0.460751D+01  0.338981D+01 -0.266458D+01  0.197107D+00 -0.163031D+01
      6   0.169756D+01 -0.164240D+01  0.251012D+01 -0.352307D+00 -0.491851D+01
               101           102           103           104           105 
      1  -0.849879D+01  0.181408D+01 -0.508331D+01 -0.949065D+01  0.241108D+01
      2   0.131590D+02 -0.341720D+01  0.842993D+01  0.157064D+02 -0.441875D+01
      3  -0.466022D+01  0.160312D+01 -0.334662D+01 -0.621580D+01  0.200767D+01
      4   0.892209D+01 -0.330211D+01  0.908900D+01  0.723532D+01 -0.280936D+01
      5  -0.180402D+01  0.165041D+01 -0.382096D+00 -0.146412D+01  0.126349D+01
      6  -0.526457D+01  0.600851D+01 -0.407864D+01 -0.577514D+01  0.543142D+01
               106           107           108           109           110 
      1   0.250853D+01  0.585801D+01 -0.521778D+01 -0.156662D+01 -0.211811D+01
      2  -0.347575D+01 -0.710535D+01  0.350282D+01  0.120536D+01  0.240714D+01
      3   0.967215D+00  0.124733D+01  0.171496D+01  0.361259D+00 -0.289030D+00
      4  -0.510001D+01 -0.367854D+01  0.412311D+01  0.141244D+00  0.262013D+01
      5   0.188753D+01  0.199694D+01 -0.209956D+01  0.818485D+00  0.843246D+00
      6   0.518526D+01  0.779817D+01 -0.636343D+01  0.118576D+01  0.275687D+01
               111           112           113           114           115 
      1  -0.199568D+01 -0.283976D+00 -0.445750D+01 -0.272140D+01 -0.757318D+00
      2   0.113221D+01  0.489213D+00  0.488478D+01  0.305382D+01 -0.314835D+00
      3   0.863472D+00 -0.205237D+00 -0.427275D+00 -0.332420D+00  0.107215D+01
      4   0.149197D+01  0.331736D+01  0.150255D+01  0.125877D+01  0.386303D+01
      5   0.160086D+01  0.231227D+00  0.411634D+00  0.935459D+00  0.224257D+01
      6   0.348238D+01  0.210014D+01  0.377329D+01  0.676477D+01  0.411135D+01
               116           117           118           119           120 
      1  -0.768382D+01 -0.117840D+02  0.593686D+01  0.621006D+01  0.392803D+01
      2   0.597855D+01 -0.565188D+00 -0.153836D+01 -0.238473D+01 -0.198782D+01
      3   0.170526D+01  0.123492D+02 -0.439849D+01 -0.382533D+01 -0.194022D+01
      4   0.126914D+01  0.237962D+01  0.556366D+01  0.121489D+02  0.272708D+01
      5   0.287829D+00  0.140660D+00  0.376454D+01  0.243383D+01  0.434038D+01
      6   0.986141D+01  0.214337D+02  0.192442D+01  0.464843D+00  0.413398D+00
               121           122           123           124           125 
      1   0.997829D+01  0.276378D+00  0.786573D+00  0.443245D+01 -0.234490D+01
      2  -0.371173D+01  0.794237D+01  0.240554D+01 -0.159966D+01  0.122694D+01
      3  -0.626657D+01 -0.821874D+01 -0.319211D+01 -0.283280D+01  0.111796D+01
      4   0.132203D+02  0.347908D+02  0.152721D+02  0.307841D+01  0.175921D+02
      5   0.563920D+01  0.166491D+02  0.143731D+02  0.527656D+01  0.102821D+02
      6   0.313470D+01  0.774768D+01  0.483781D+01  0.121101D+01  0.729762D+01
               126 
      1  -0.245725D+01
      2  -0.641390D+00
      3   0.309864D+01
      4   0.927080D+01
      5   0.724018D+01
      6   0.534079D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.181461D+01      0.461228D+01      0.153849D+02
   x          0.100808D+01      0.256227D+01      0.854682D+01
   y          0.149224D+01      0.379290D+01      0.126518D+02
   z          0.223182D+00      0.567271D+00      0.189221D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.687261D+02      0.101842D+02      0.113314D+02
   aniso      0.274821D+02      0.407242D+01      0.453118D+01
   xx         0.836423D+02      0.123945D+02      0.137907D+02
   yx         0.123654D+01      0.183236D+00      0.203877D+00
   yy         0.702428D+02      0.104089D+02      0.115815D+02
   zx        -0.154046D+01     -0.228272D+00     -0.253987D+00
   zy         0.660537D+00      0.978815D-01      0.108908D+00
   zz         0.522932D+02      0.774905D+01      0.862198D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.764604D+02      0.113303D+02      0.126066D+02
   aniso      0.269552D+02      0.399434D+01      0.444430D+01
   xx         0.914573D+02      0.135526D+02      0.150793D+02
   yx         0.461851D+00      0.684392D-01      0.761489D-01
   yy         0.774721D+02      0.114802D+02      0.127734D+02
   zx        -0.715952D+00     -0.106093D+00     -0.118045D+00
   zy        -0.602715D+00     -0.893132D-01     -0.993743D-01
   zz         0.604517D+02      0.895802D+01      0.996714D+01

 ----------------------------------------------------------------------

 Dipole orientation:
     6          1.25991871         -1.68119661         -0.01166511
    16          3.75386061         -1.93169466          2.34979842
     6         -0.16100742          0.82800686          0.04815165
     7         -1.63703988          1.32242587          2.33468755
     6         -1.87126218          1.07419985         -2.29932857
     8         -1.29194578          0.27619647         -4.34160282
     8         -4.02638801          2.32096490         -1.86530834
     1          1.21823998          2.35625068         -0.12727899
     1         -0.04610662         -3.26450866          0.18416272
     1          2.19409793         -1.88860472         -1.83176589
     1         -4.02541986          2.70193517         -0.04800774
     1         -0.55245697          2.04924791          3.72984930
     1         -2.46405836         -0.27464992          2.99801011
     1          2.25397271         -2.13290585          4.38779632

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.181461D+01      0.461228D+01      0.153849D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.181461D+01      0.461228D+01      0.153849D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.687261D+02      0.101842D+02      0.113314D+02
   aniso      0.274821D+02      0.407242D+01      0.453118D+01
   xx         0.725601D+02      0.107523D+02      0.119635D+02
   yx        -0.109462D+02     -0.162206D+01     -0.180479D+01
   yy         0.584587D+02      0.866268D+01      0.963854D+01
   zx         0.708573D+01      0.105000D+01      0.116828D+01
   zy        -0.986700D+00     -0.146214D+00     -0.162685D+00
   zz         0.751595D+02      0.111375D+02      0.123921D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.764604D+02      0.113303D+02      0.126066D+02
   aniso      0.269552D+02      0.399434D+01      0.444430D+01
   xx         0.796060D+02      0.117964D+02      0.131253D+02
   yx        -0.114950D+02     -0.170338D+01     -0.189527D+01
   yy         0.680422D+02      0.100828D+02      0.112186D+02
   zx         0.743071D+01      0.110112D+01      0.122516D+01
   zy        -0.750553D+00     -0.111220D+00     -0.123749D+00
   zz         0.817329D+02      0.121116D+02      0.134759D+02

 ----------------------------------------------------------------------

 Test job not archived.
 1\1\GINC-CPN-U22-19\Freq\RLC-PBEPBE\Gen\C3H7N1O2S1\PIERPA\16-Aug-2021\
 0\\#P LC-PBEPBE/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=200,Tigh
 t) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq IOp(1/33=1,3/107=033600
 0000,3/108=0336000000,3/119=1000000000,3/120=1000000000,3/130=-1,3/131
 =-1)\\ROA calculations.\\0,1\C,0.841982,-0.630213,0.360459\S,2.547171,
 -0.192191,-0.109995\C,-0.225879,0.229919,-0.309856\N,-0.226558,1.64677
 7,0.057723\C,-1.62529,-0.371631,-0.067003\O,-1.831566,-1.553063,-0.022
 962\O,-2.593125,0.543639,0.052246\H,-0.077154,0.178374,-1.391781\H,0.7
 39207,-0.597147,1.44615\H,0.710059,-1.667028,0.057631\H,-2.140525,1.41
 446,0.004453\H,0.443329,2.173429,-0.486604\H,-0.005119,1.777267,1.0390
 14\H,2.614024,0.975209,0.551137\\Version=ES64L-G16RevA.03\State=1-A\HF
 =-722.1259544\RMSD=9.591e-09\RMSF=5.895e-06\ZeroPoint=0.1080431\Therma
 l=0.1160878\Dipole=1.0080754,1.4922424,0.2231816\DipoleDeriv=0.3939432
 ,0.0515431,-0.0422578,0.105305,-0.0836999,-0.0477376,-0.0359109,0.0100
 085,0.0679317,-0.1849983,-0.0112111,-0.101048,-0.0328737,-0.0440013,0.
 118062,-0.1042676,0.1028433,-0.095072,-0.0958333,-0.0070297,0.0925836,
 -0.2138596,0.452563,0.052006,0.1824454,0.1266878,0.1708547,-0.6274043,
 0.1045772,-0.0460559,0.1343682,-0.6639874,-0.0057607,-0.0382752,-0.039
 2061,-0.1955668,1.3063792,-0.2349559,-0.1201466,0.0014723,1.6599711,0.
 0115481,-0.2203473,-0.0113717,0.2627251,-0.6864712,-0.2262782,0.013288
 9,-0.1030288,-1.152748,0.0030658,0.0317083,0.0312354,-0.3614787,-1.033
 3909,0.4856847,0.0311818,0.1882344,-0.9592803,-0.0437057,0.0956576,-0.
 0529338,-0.3271286,0.0567942,-0.0055601,0.0181053,-0.017822,0.0021439,
 0.004746,-0.0150464,-0.0174807,-0.0376752,-0.088786,-0.0115836,0.07190
 78,0.0090567,0.0674391,-0.0190642,0.0475125,0.0089127,-0.0795192,0.038
 1731,-0.0128178,-0.0004863,0.0232695,-0.0024249,-0.0139113,0.0113449,-
 0.0202592,0.0737669,0.5440558,0.066344,0.0150525,0.072701,0.372066,0.0
 07181,0.0045825,0.0036182,0.2630097,0.1214951,-0.1603803,0.0686445,-0.
 059834,0.2136225,-0.0555772,0.0377352,-0.0559422,0.1507805,0.2285537,-
 0.0894857,-0.0805794,-0.0548031,0.165896,0.0563821,-0.0459123,0.002633
 3,0.065708,0.0274897,0.0511534,0.0798096,-0.052186,-0.0275599,-0.06723
 42,0.0487732,-0.0887456,0.0416639\Polar=83.6422559,1.2365375,70.242812
 ,-1.5404569,0.6605372,52.2931836\Quadrupole=-7.1934884,2.8041687,4.389
 3197,-1.4392703,1.0562038,1.0545111\PG=C01 [X(C3H7N1O2S1)]\NImag=0\\0.
 34530405,-0.00369798,0.52334014,0.00848360,0.05684735,0.53784735,-0.11
 221893,0.00078377,0.03879326,0.19016047,-0.02267152,-0.04466395,0.0004
 7466,0.02821983,0.23998610,0.02595853,-0.01091206,-0.04981054,-0.04901
 211,0.11539207,0.11613965,-0.11141738,0.03240382,-0.03944024,-0.035532
 82,0.00914433,-0.00498031,0.44066531,0.03720058,-0.10193456,0.02804611
 ,-0.00733023,0.00216755,-0.00270358,-0.00940752,0.47928934,-0.03663563
 ,0.02139703,-0.10570441,0.00581496,-0.00354759,0.00465242,-0.01559381,
 0.00654869,0.57175241,0.00006656,0.02542052,0.00755030,0.00161955,0.00
 277358,-0.00095385,-0.06669683,-0.02915474,0.00006089,0.32605194,0.002
 00615,-0.03582567,-0.00907787,-0.00246045,0.00058682,0.00033552,0.0152
 6150,-0.18751980,-0.02097076,0.18944127,0.46780016,0.00342600,0.010990
 35,0.00591143,-0.00030776,-0.00007818,0.00001681,0.01385048,-0.0308841
 8,-0.10578533,-0.07213899,-0.02067364,0.66694982,-0.03399238,0.0030489
 1,0.00150607,0.00086060,0.00024891,-0.00086201,-0.13463559,-0.02842451
 ,0.00762097,-0.00886223,-0.00519491,-0.00064557,0.52841881,0.00976930,
 0.01317274,-0.00619780,0.00655601,-0.00350004,0.00156896,-0.00298849,-
 0.07268833,0.00299328,-0.01768847,-0.02769006,0.00675220,0.06745626,1.
 02056098,-0.01400899,-0.00688487,0.00339285,-0.00254561,0.00124526,0.0
 0033221,0.00654041,0.00742190,-0.09374989,-0.00639490,-0.00542384,0.00
 265191,-0.04208160,-0.01971518,0.23193606,-0.00036807,-0.00053587,0.00
 084342,0.00035947,-0.00044799,-0.00059995,0.00117626,-0.03141710,0.002
 44812,-0.00273374,-0.00576894,0.00268529,-0.13746835,-0.13218223,0.009
 27827,0.12416711,0.00346828,-0.00349638,0.00154323,-0.00128419,0.00183
 399,-0.00040916,-0.01414861,-0.02753675,0.00339775,-0.00907034,-0.0036
 0453,0.00207427,-0.14261668,-0.71086810,0.02696154,0.12489117,0.838204
 36,0.00101475,0.00067151,-0.00011236,0.00034579,-0.00049496,0.00017739
 ,0.00304313,0.00668008,0.01975840,0.00194439,0.00106448,0.00067099,0.0
 0915065,0.02549686,-0.07730846,-0.01259654,-0.02783463,0.03408085,-0.0
 0144866,-0.00489019,0.00417980,-0.00322528,0.00086195,-0.00107451,-0.0
 3571593,0.02590552,0.00549555,-0.00929837,-0.00512363,0.00163575,-0.24
 260668,0.04728336,0.02341759,0.02801580,0.03015406,-0.00170549,0.40776
 187,-0.00104836,0.00165178,-0.00008447,0.00029650,0.00068490,-0.000115
 19,0.00307891,-0.00523000,-0.00280563,-0.02050001,-0.00207495,0.002308
 57,0.10109396,-0.15671925,-0.01219114,0.04919226,-0.09831881,-0.005081
 41,0.04313931,0.58326343,0.00139063,0.00285494,-0.00123437,0.00081580,
 -0.00029124,0.00001971,0.01057215,-0.00653704,0.02069996,-0.00069674,0
 .00017506,0.00485597,0.02274496,-0.00526980,-0.05811285,-0.00186995,-0
 .00279832,0.01466326,-0.04433884,-0.00229210,0.04026990,0.00080777,0.0
 0135710,-0.02573792,0.00189960,-0.00023752,-0.00050648,-0.05135196,0.0
 0136471,0.04545802,0.00090816,-0.00126749,-0.00244603,-0.00464489,-0.0
 0035426,0.03338361,-0.00106698,-0.00053916,-0.00421033,-0.00323584,0.0
 0042472,-0.00416881,0.05788070,-0.00064105,-0.00017306,0.01988542,-0.0
 0080561,0.00010420,-0.00056446,-0.00153291,-0.04606441,-0.00171185,0.0
 0426103,-0.01023205,-0.03826560,-0.00046548,0.00039327,0.01256105,-0.0
 0114904,-0.00075733,-0.00181953,-0.00074559,0.00074563,-0.00082609,-0.
 00206497,0.06172068,0.00029101,0.00232432,-0.01701625,0.00075573,-0.00
 058222,0.00152404,0.03546903,-0.01246856,-0.29703998,0.00089827,-0.003
 69433,-0.00884425,0.00380168,0.00120703,-0.00630720,0.00016732,-0.0003
 0783,0.00124032,0.00032025,0.00061341,0.00029101,-0.03982931,0.0123532
 5,0.32364511,-0.04149037,0.00363291,0.02658837,-0.01571299,-0.00193549
 ,0.02523469,0.00077691,-0.00077858,-0.02446774,0.00043506,-0.00152487,
 0.00056875,0.00235770,0.00115946,-0.00107340,-0.00033542,-0.00074843,0
 .00055099,-0.00038371,0.00006225,0.00025344,-0.00300615,0.00292385,-0.
 00184456,0.05430324,0.00516060,-0.04812397,-0.01052838,-0.00684156,-0.
 00039415,0.00722068,0.00090640,-0.00040421,0.01996543,-0.00113032,0.00
 237618,0.00057219,-0.00106609,0.00032283,-0.00021610,-0.00010664,0.000
 02009,0.00053328,0.00008926,-0.00041520,-0.00021589,0.00279972,-0.0014
 3927,0.00191363,-0.00409438,0.04775031,0.01965403,-0.01230359,-0.30982
 727,0.00345438,0.00025659,-0.00158506,-0.00073482,-0.00209357,-0.01521
 543,0.00048440,-0.00013920,0.00213493,0.00112284,0.00158018,-0.0004771
 9,-0.00033984,-0.00088134,0.00061836,-0.00056767,0.00006784,0.00014001
 ,-0.00221914,0.00136018,0.00020826,-0.02125814,0.01108389,0.33179247,-
 0.04451213,-0.03274348,-0.01158524,-0.00693980,-0.02393287,-0.00781167
 ,0.00465228,0.01975127,0.00802349,-0.00396960,0.00475566,-0.00221645,0
 .00001011,0.00378611,0.00044876,-0.00124738,-0.00228552,-0.00015074,0.
 00053116,-0.00172001,-0.00012394,0.00078176,-0.00030910,-0.00011633,0.
 00085805,0.00359476,0.00072910,0.05573168,-0.02643865,-0.29498178,-0.0
 7563351,-0.00359435,-0.00440976,-0.00042984,-0.00117072,-0.01730764,-0
 .00613422,0.00296340,-0.00230613,0.00200458,-0.00022127,-0.00267227,-0
 .00005873,-0.00230330,0.00165409,-0.00011010,-0.00009246,0.00103511,-0
 .00000181,-0.00031215,0.00058116,0.00024564,0.00040006,0.00030311,-0.0
 0021885,0.03120505,0.31722416,-0.00980656,-0.07455982,-0.06991040,0.00
 145371,0.00681175,0.00208951,0.00223620,0.01462218,0.00388141,-0.00293
 225,0.00262339,-0.00010816,-0.00016654,-0.00064764,0.00063482,-0.00033
 965,0.00016572,-0.00080947,0.00010504,0.00002251,0.00006015,0.00079979
 ,-0.00006624,0.00049737,-0.00391608,-0.03034923,-0.00851468,0.01074957
 ,0.07948881,0.07231032,-0.00002513,-0.00176673,-0.00033119,-0.00022203
 ,-0.00032278,0.00032092,-0.00764466,0.01103658,0.00249085,0.00576141,0
 .00265537,-0.00246823,0.03004332,0.02054184,-0.00468720,-0.00908468,0.
 01255920,0.00204527,-0.13677367,-0.17244750,0.01387063,-0.00022160,-0.
 00057479,-0.00031190,0.00010478,0.00023301,-0.00004304,0.00074166,-0.0
 0059358,0.00013111,0.11528592,-0.00005787,-0.00254912,-0.00014570,-0.0
 0104309,0.00007343,0.00000832,0.00126520,0.00437682,0.00138436,0.00443
 698,-0.00359168,-0.00036895,0.00009911,-0.05444665,-0.00016765,0.00267
 866,0.00454833,-0.00032472,-0.13765062,-0.32818480,0.01460086,-0.00033
 990,-0.00046399,-0.00015062,-0.00010368,0.00022052,-0.00012461,0.00039
 506,-0.00049724,0.00017737,0.13131912,0.38143221,-0.00020494,-0.000515
 71,0.00002582,-0.00009689,0.00005252,-0.00002996,0.00117090,-0.0003036
 9,-0.00062789,0.00009431,0.00052144,-0.00790805,-0.00274975,-0.0039155
 1,-0.00289685,0.00146016,-0.00095360,0.00688061,0.01368389,0.01996664,
 -0.02160633,0.00095871,-0.00011779,-0.00035702,-0.00012294,0.00007215,
 -0.00013387,0.00003177,-0.00000211,0.00005335,-0.01154687,-0.01454794,
 0.02664891,0.00106450,0.00182427,0.00011393,0.00011006,-0.00028293,0.0
 0039285,-0.00307069,0.00675080,-0.00352873,-0.19905705,-0.16127055,0.1
 6333777,-0.00108652,0.00056839,-0.00061094,-0.00038826,-0.00180400,0.0
 0025564,-0.00176967,-0.00236677,-0.00091776,0.00076232,-0.00014100,-0.
 00023631,-0.00008230,-0.00012993,0.00005585,-0.00057969,0.00038484,0.0
 0018688,0.00255070,-0.00066653,0.00198373,0.19862028,-0.00140357,-0.00
 107719,0.00018292,0.00009231,0.00084307,-0.00050804,-0.02564483,-0.020
 68228,0.01861624,-0.12885664,-0.14019428,0.09132737,0.00498165,-0.0051
 8180,-0.00202213,-0.00224315,-0.00120550,0.00052181,0.00116444,0.00298
 365,0.00086310,0.00019379,0.00208207,-0.00003782,-0.00000685,-0.000054
 67,-0.00007587,0.00018909,-0.00016196,-0.00017742,-0.00243171,-0.00101
 014,-0.00118623,0.14937037,0.16045996,-0.00007595,-0.00003872,-0.00087
 321,0.00015466,0.00000605,0.00004933,-0.00871297,-0.00601290,0.0063992
 2,0.13313666,0.09638961,-0.16582840,0.00033266,-0.00281644,0.00012803,
 -0.00140565,-0.00143590,0.00013382,-0.00141899,-0.00126170,0.00007679,
 -0.00069459,-0.00103927,0.00082017,0.00002199,0.00002913,0.00013119,0.
 00003112,-0.00008852,0.00020516,0.00180156,0.00035450,0.00011604,-0.15
 068543,-0.10505565,0.17940095,0.00064707,-0.00083890,0.00132361,-0.000
 39267,0.00009714,0.00018465,-0.00267829,0.00593615,0.00340513,-0.04516
 458,-0.03186634,-0.10538364,0.00171112,-0.00257493,-0.00208638,-0.0007
 1436,0.00050059,0.00046773,-0.00191485,0.00025361,0.00252505,0.0005932
 1,0.00117663,0.00060233,0.00037759,-0.00008584,-0.00013265,0.00017694,
 -0.00027473,-0.00011981,-0.00017104,-0.00018418,-0.00468634,0.00359209
 ,0.00397728,0.02780181,0.04457391,0.00001615,0.00265902,-0.00161206,0.
 00042604,0.00004359,0.00005658,-0.00763310,-0.00640827,-0.03950391,-0.
 02335137,-0.05813149,-0.02588817,0.00085700,-0.00027557,-0.00127168,-0
 .00030934,-0.00058523,0.00066840,-0.00001271,0.00035558,-0.00033304,-0
 .00092145,-0.00649995,-0.00144236,0.00014309,-0.00049512,0.00138186,-0
 .00053813,0.00041737,0.00041957,-0.00019668,0.00009326,0.00093194,0.00
 739440,0.00316726,0.02098362,0.02382767,0.06563842,-0.00051727,0.00175
 450,0.00306351,0.00036009,0.00035044,-0.00024716,-0.00341557,-0.001130
 06,-0.00847759,-0.06215497,-0.04110654,-0.39501128,0.00038084,-0.00073
 793,-0.00046760,0.00000304,0.00022208,0.00002140,0.00002223,0.00061673
 ,-0.00002826,-0.00089804,-0.00166322,0.00141070,0.00079496,-0.00081490
 ,-0.00008093,-0.00047830,0.00050055,-0.00004120,-0.00093491,-0.0005630
 3,-0.00017879,-0.00971242,-0.00299104,-0.02034282,0.07615493,0.0456462
 5,0.42019638,-0.00241689,-0.02399814,-0.01228778,-0.02076524,0.0084853
 5,0.01370925,0.00147341,-0.00143293,-0.00059208,0.00093973,0.00035722,
 0.00010261,-0.00010502,-0.00133232,0.00042038,-0.00031140,0.00092362,-
 0.00015522,0.00006382,0.00054114,-0.00005661,-0.00010610,0.00006803,0.
 00003280,0.00179761,0.00067102,-0.00020529,-0.00623503,0.00004788,0.00
 161857,-0.00034498,-0.00014827,0.00002425,-0.00066577,0.00061784,-0.00
 028688,-0.00063612,0.00029842,0.00039538,0.02731198,-0.00166206,-0.007
 99800,-0.00369989,-0.01301498,-0.19335574,-0.10893980,0.00046604,-0.00
 005747,0.00037119,0.00045511,0.00040750,0.00012918,0.00020313,-0.00040
 774,-0.00023842,-0.00029849,0.00011177,0.00002892,-0.00008269,0.000222
 92,0.00007139,-0.00010311,0.00000305,0.00002646,0.00087065,0.00033356,
 0.00010650,-0.00214788,0.00112179,0.00146904,-0.00001136,-0.00000095,-
 0.00000211,0.00036865,0.00003181,-0.00001382,0.00005586,0.00002113,-0.
 00008382,0.01490115,0.19956636,0.00103080,0.00837477,0.00424784,0.0000
 1400,-0.11959514,-0.07332837,-0.00000459,-0.00118538,-0.00054332,0.001
 10246,-0.00002332,0.00029361,-0.00015520,-0.00029822,0.00024415,0.0002
 6596,0.00025620,-0.00001512,0.00024539,0.00023595,-0.00009494,0.000110
 53,-0.00008586,-0.00007229,-0.00133034,0.00073412,0.00080921,0.0024688
 6,0.00043810,-0.00034818,-0.00033701,-0.00013218,0.00001402,-0.0006350
 8,0.00054276,-0.00041626,-0.00005642,-0.00003699,0.00018365,-0.0027193
 8,0.11077519,0.06902600\\0.00002212,0.00000009,-0.00000536,-0.00000656
 ,0.00000141,0.00000561,0.00000152,-0.00000839,-0.00000142,0.00000751,0
 .00000386,0.00000295,-0.00001117,-0.00001733,-0.00000244,0.00000584,0.
 00000766,0.00000082,0.00000091,0.00000066,-0.00000078,-0.00000248,0.00
 000362,0.00000015,-0.00000370,0.00000141,0.00000139,-0.00000630,0.0000
 0337,0.00000097,-0.00000369,0.00000596,0.00000129,-0.00000424,-0.00000
 106,-0.00000032,-0.00000259,-0.00000220,-0.00000176,0.00000284,0.00000
 096,-0.00000110\\\@


      SCIENCE SANS CONSCIENCE N'EST QUE RUINE DE L'AME.

                                                  -- RABELAIS
 Job cpu time:       0 days  1 hours 20 minutes 37.2 seconds.
 Elapsed time:       0 days  0 hours 10 minutes  7.2 seconds.
 File lengths (MBytes):  RWF=    218 Int=      0 D2E=      0 Chk=      6 Scr=      2
 Normal termination of Gaussian 16 at Mon Aug 16 21:30:02 2021.
